SCHEMBL14875232

SCHEMBL14875232

Nc1c(-c2ccnnn2)c(N2CCOCC2)c(Nc2ccccc2)c(C=Cc2ccccc2)c1S(=O)(=O)[O-].Nc1c(-c2ccnnn2)c(N2CCOCC2)c(Nc2ccccc2)c(C=Cc2ccccc2)c1S(=O)(=O)[O-].[Na+].[Na+]

nearest known ligand 0.35

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 0.35
CA1 known ✓ P00915 2/20 0.35
CA2 known ✓ P00918 2/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CA9 Q16790 2/20 0.35
CTSK P43235 1/20 0.33
MAPT P10636 2/20 0.32
JAK2 O60674 2/20 0.31
SMG1 Q96Q15 1/20 0.31
KDM1A O60341 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL29834643 1.00 ALDH1A1 (0.35) ALDH1A1ALOX15TSHRCA12CA1
SCHEMBL14893918 0.91 ALDH1A1 (0.35) ALDH1A1ALOX15TSHRCA12CA1
SCHEMBL9929264 0.76 ALDH1A1 (0.36) ALDH1A1ALOX15TSHRCA12CA1
SCHEMBL5669473 0.65 GRM4 (0.32) ALDH1A1NPC1RAB9A
SCHEMBL9805980 0.63 DAPK1 (0.30) ALDH1A1NPC1RAB9A
SCHEMBL9624630 0.62 CA12 (0.50) ALDH1A1CA12CA1CA2CA9
SCHEMBL10486391 0.60 PRKDC (0.42) ALDH1A1ALOX15TSHRMAPTKDM1A
SCHEMBL2729083 0.60 CA12 (0.57) ALDH1A1CA12CA1CA2CA9
SCHEMBL9929254 0.60 CA12 (0.39) ALDH1A1ALOX15TSHRCA12CA1
SCHEMBL10440183 0.60 PRKDC (0.41) ALDH1A1ALOX15TSHRMAPTKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250313817-A1 POLYPEPTIDES NOVOZYMES A/S (DK) 2025-10-09 US disclosed
US-20250171717-A1 DETERGENT COMPOSITIONS AND USES THEREOF NOVOZYMES A/S (DK) 2025-05-29 US disclosed
US-12241045-B2 Detergent compositions and uses thereof NOVOZYMES A/S (DK) 2025-03-04 US disclosed
US-20250051744-A1 POLYPEPTIDES NOVOZYMES A/S (DK) 2025-02-13 US disclosed
US-20240228913-A1 ENZYME COMPOSITIONS AND USES THEREOF NOVOZYMES A/S (DK) 2024-07-11 US disclosed
US-20240209335-A1 Cleaning Compositions Comprising Enzymes NOVOZYMES A/S (DK) 2024-06-27 US disclosed
US-11959106-B2 Cleaning compositions comprising enzymes NOVOZYMES A/S (DK) 2024-04-16 US disclosed
US-20230340367-A1 Detergent Compositions and Uses Thereof NOVOZYMES A/S (DK) 2023-10-26 US disclosed
US-20230287306-A1 Cleaning Composition NOVOZYMES A/S (DK) 2023-09-14 US disclosed
US-11680231-B2 Detergent compositions and uses thereof NOVOZYMES A/S (DK) 2023-06-20 US disclosed
WO-2013062885-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY E.I. DUPONT DE NEMOURS AND COMPANY (US) 2013-05-02 WO disclosed
US-20130102670-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-04-25 US disclosed
US-20130102664-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-04-25 US disclosed
US-20130102666-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-04-25 US disclosed
US-20130102671-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-04-25 US disclosed
US-20130102667-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-04-25 US disclosed
US-20130102669-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-04-25 US disclosed
US-20130102665-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-04-25 US disclosed
US-20130102672-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-04-25 US disclosed
US-20130102668-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-04-25 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 (8 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-20130102667-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY HPD, HOGA1, APEH CA12 1783/4885CA1 939/4885CA2 484/4885
US-20130102665-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY HPD, HOGA1, APEH CA12 1783/4885CA1 939/4885CA2 484/4885
US-20130102666-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY HPD, HOGA1, APEH CA12 1783/4885CA1 939/4885CA2 484/4885
US-20130102669-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY HPD, HOGA1, APEH CA12 1783/4885CA1 939/4885CA2 484/4885
US-20130102671-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY HPD, HOGA1, APEH CA12 1783/4885CA1 939/4885CA2 484/4885
US-20130102664-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY HPD, HOGA1, APEH CA12 1783/4885CA1 939/4885CA2 484/4885
US-20130102670-A1 PERHYDROLASE VARIANT PROVIDING IMPROVED SPECIFIC ACTIVITY HPD, HOGA1, APEH CA12 1783/4885CA1 939/4885CA2 484/4885
US-20130102668-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.