SCHEMBL9929264

SCHEMBL9929264

O=S(=O)([O-])c1c(C=Cc2ccccc2)cc(Nc2ccccc2)c(N2CCOCC2)c1Nc1ccnnn1.O=S(=O)([O-])c1c(C=Cc2ccccc2)cc(Nc2ccccc2)c(N2CCOCC2)c1Nc1ccnnn1.[Na+].[Na+]

nearest known ligand 0.36

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 known ✓ O43570 2/20 0.34
CA1 known ✓ P00915 2/20 0.34
CA2 known ✓ P00918 2/20 0.34
ALDH1A1 P00352 3/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK10 P53779 3/20 0.34
CA9 Q16790 2/20 0.34
PRKDC P78527 2/20 0.33
PLK4 O00444 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
MAPK9 P45984 1/20 0.33
PIK3CA P42336 2/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9951598 0.92 MAPK10 (0.36) ALDH1A1ALOX15TSHRMAPK10CA12
SCHEMBL29834643 0.76 ALDH1A1 (0.35) ALDH1A1ALOX15TSHRCA12CA1
SCHEMBL14875232 0.76 ALDH1A1 (0.35) ALDH1A1ALOX15TSHRCA12CA1
SCHEMBL10486391 0.71 PRKDC (0.42) ALDH1A1ALOX15TSHRMAPK10PRKDC
SCHEMBL10440183 0.70 PRKDC (0.41) ALDH1A1ALOX15TSHRMAPK10PRKDC
SCHEMBL10824187 0.68 ALDH1A1 (0.32) ALDH1A1ALOX15TSHRPIK3CAPIK3CD
SCHEMBL14893918 0.68 ALDH1A1 (0.35) ALDH1A1ALOX15TSHRCA12CA1
SCHEMBL9929254 0.66 CA12 (0.39) ALDH1A1ALOX15TSHRCA12CA1
SCHEMBL2729083 0.66 CA12 (0.57) ALDH1A1CA12CA1CA2CA9
SCHEMBL2231709 0.66 PELI1 (0.33)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 170 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3708660-B1 POLYPEPTIDES NOVOZYMES AS (DK) 2026-04-29 EP disclosed
US-20260078359-A1 POLYPEPTIDES NOVOZYMES A/S (DK) 2026-03-19 US disclosed
EP-4676920-A1 PHOTOLABILE CYCLIC ACETALS AND KETALS FOR THE LIGHT-INDUCED DELIVERY OF ACTIVE ALDEHYDES AND KETONES Firmenich SA (CH) 2026-01-14 EP disclosed
US-20250313817-A1 POLYPEPTIDES NOVOZYMES A/S (DK) 2025-10-09 US disclosed
EP-4426684-B1 CYCLIC ACETALS AND KETALS FOR THE LIGHT-INDUCED RELEASE OF ACTIVE ALDEHYDES AND KETONES FIRMENICH & CIE (CH) 2025-09-17 EP disclosed
EP-3149143-B1 USE OF POLYPEPTIDE NOVOZYMES AS (DK) 2025-08-06 EP disclosed
US-12371682-B2 Polypeptides NOVOZYMES A/S (DK) 2025-07-29 US disclosed
US-20250171717-A1 DETERGENT COMPOSITIONS AND USES THEREOF NOVOZYMES A/S (DK) 2025-05-29 US disclosed
US-12264295-B2 Encapsulated pro-perfume compounds FIRMENICH SA (CH) 2025-04-01 US disclosed
US-12241045-B2 Detergent compositions and uses thereof NOVOZYMES A/S (DK) 2025-03-04 US disclosed
WO-2012087792-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY E.I. DUPONT DE NEMOURS AND COMPANY (US) 2012-06-28 WO disclosed
WO-2012087793-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY E.I. DUPONT DE NEMOURS AND COMPANY (US) 2012-06-28 WO disclosed
US-20120156161-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY E. I. DU PONT DE NEMOURS AND COMPANY 2012-06-21 US disclosed
US-20120156160-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY E. I. DU PONT DE NEMOURS AND COMPANY 2012-06-21 US disclosed
US-20120156158-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY E. I. DU PONT DE NEMOURS AND COMPANY 2012-06-21 US disclosed
US-20120156159-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY E. I. DU PONT DE NEMOURS AND COMPANY 2012-06-21 US disclosed
US-20120156156-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY E. I. DU PONT DE NEMOURS AND COMPANY 2012-06-21 US disclosed
US-20120156157-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY E. I. DU PONT DE NEMOURS AND COMPANY 2012-06-21 US disclosed
US-20120156162-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY E. I. DU PONT DE NEMOURS AND COMPANY 2012-06-21 US disclosed
US-20120156155-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY E. I. DU PONT DE NEMOURS AND COMPANY 2012-06-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120156160-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY HPD, HOGA1, APEH CA12 1783/4885CA1 939/4885CA2 484/4885
US-20120156162-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY APEH, HPD, HAGH CA12 1608/4885CA1 949/4885CA2 571/4885
US-20120156155-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY HPD, HOGA1, APEH CA12 1783/4885CA1 939/4885CA2 484/4885
US-20260078359-A1 POLYPEPTIDES IDUA, IDE, AGL CA12 1779/4885CA1 1761/4885CA2 2212/4885
US-20120156156-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY HPD, HOGA1, APEH CA12 1783/4885CA1 939/4885CA2 484/4885
US-20120156159-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY HPD, HOGA1, APEH CA12 1783/4885CA1 939/4885CA2 484/4885
US-20120156161-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY HPD, HOGA1, APEH CA12 1783/4885CA1 939/4885CA2 484/4885
US-20120156157-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY HPD, HOGA1, APEH CA12 1783/4885CA1 939/4885CA2 484/4885
US-20120156158-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY HPD, HOGA1, APEH CA12 1783/4885CA1 939/4885CA2 484/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.