SCHEMBL2573296

SCHEMBL2573296

O=C([O-])CNc1ccccc1.[Na+]

nearest known ligand 0.48

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
CA2 known ✓ P00918 3/20 0.48
CA12 known ✓ O43570 2/20 0.48
CA1 known ✓ P00915 1/20 0.44
CA4 known ✓ P22748 1/20 0.43
CA9 Q16790 1/20 0.48
ERCC1 P07992 2/20 0.46
ERCC4 Q92889 2/20 0.46
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
PKM P14618 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
AKR1C3 P42330 1/20 0.44
CA7 P43166 1/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43

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
Potassium Ion SCHEMBL26699805 0.98 CA2 (0.47) CA2CA12CA9ERCC1ERCC4
SCHEMBL28581863 0.98 CA2 (0.47) CA2CA12CA9ERCC1ERCC4
Potassium Ion SCHEMBL4091648 0.96 ERCC1 (0.46) CA2CA12CA9ERCC1ERCC4
SCHEMBL8049927 0.96 ERCC1 (0.46) CA2CA12CA9ERCC1ERCC4
SCHEMBL31286502 0.96 ERCC1 (0.46) CA2CA12CA9ERCC1ERCC4
SCHEMBL8049928 0.96 ERCC1 (0.46) CA2CA12CA9ERCC1ERCC4
SCHEMBL10604295 0.96 ERCC1 (0.46) CA2CA12CA9ERCC1ERCC4
SCHEMBL11388483 0.96 ERCC1 (0.46) CA2CA12CA9ERCC1ERCC4
SCHEMBL1578383 0.81 CA1 (0.45) CA2CA12CA9ALDH1A1KDM4E
SCHEMBL243229 0.80 ERCC5 (0.48) CA2CA12CA9ERCC1ERCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118904163-A Preparation method and device for preparing phenylglycine by using pipelining continuous flow 海连化工科技(绍兴)有限公司 2024-11-08 CN claimed
CN-110183348-A N- (3- nitro -4- alkoxybenzoyl) amino acids, preparation method and its usage 中国医科大学 2019-08-30 CN claimed
US-20260042790-A1 PENTAAZA MACROCYCLIC RING COMPLEXES POSSESSING ORAL BIOAVAILABILITY GALERA LABS LLC (US) 2026-02-12 US disclosed
EP-3966226-B1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AG (DE) 2025-12-24 EP disclosed
US-12503491-B2 MASP inhibitory compounds and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2025-12-23 US disclosed
EP-4291587-B1 PHOTOPOLYMERIZABLE HOE COMPOSITION XETOS AG (DE) 2025-11-12 EP disclosed
US-12416860-B2 Photoresist film and application thereof CHANG CHUN PLASTICS CO., LTD. (TW) 2025-09-16 US disclosed
US-20250277122-A1 Photopolymerizable HOE Composition XETOS AG (DE) 2025-09-04 US disclosed
US-20250230181-A1 PENTAAZA MACROCYCLIC RING COMPLEXES POSSESSING ORAL BIOAVAILABILITY GALERA LABS, LLC (US) 2025-07-17 US disclosed
US-20250224674-A1 PHOTOSENSITIVE RESIN FILM AND APPLICATION THEREOF CHANG CHUN PLASTICS CO., LTD. (TW) 2025-07-10 US disclosed
CN-113416170-B Pentaaza macrocyclic ring complexes with oral bioavailability 加莱拉实验室有限责任公司 2025-03-25 CN disclosed
US-4772314-A PHENYLGLYCINES, MONOMERIC TEIJIN LIMITED (JP) 1988-09-20 US disclosed
EP-0200794-A1 Derivatives of ubiquinone, process for their preparation and pharmaceutical compositions containing them MAGIS FARMACEUTICI S.p.A. (IT) 1986-11-12 EP disclosed
EP-0194679-A2 Plant growth promoter and method of plant growth promotion TEIJIN LIMITED (JP) 1986-09-17 EP disclosed
US-4520103-A GENETIC TRANSFORMATION OF HOST CELLS AMGEN (US) 1985-05-28 US disclosed
EP-0109583-A2 Microbial production of indigo AMGEN INC. (US) 1984-05-30 EP disclosed
EP-0010918-B1 ANTIFREEZE AGENTS Smiths Industries Public Limited Company (GB) 1983-04-13 EP disclosed
EP-0048165-A1 Bis-tetrazolemethyl substituted beta-lactam antibiotics, their preparation and pharmaceutical formulations containing them ELI LILLY AND COMPANY (US) 1982-03-24 EP disclosed
US-4304774-A Bis-tetrazolmethyl substituted β-lactam antibiotics ELI LILLY AND COMPANY (US) 1981-12-08 US disclosed
EP-0010918-A1 Antifreeze agents Smiths Industries Public Limited Company (GB) 1980-05-14 EP 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 (3 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-12503491-B2 MASP inhibitory compounds and uses thereof MASP2, SERPINB1, SPINT2 CA2 3928/4885CA12 2659/4885CA1 3239/4885
US-20260042790-A1 PENTAAZA MACROCYCLIC RING COMPLEXES POSSESSING ORAL BIOAVAILABILITY SLC30A7, SLC39A14, AP1M1 CA2 872/4885CA12 695/4885CA1 592/4885
US-20250230181-A1 PENTAAZA MACROCYCLIC RING COMPLEXES POSSESSING ORAL BIOAVAILABILITY SLC39A14, SLCO4C1, ORC3 CA2 1209/4885CA12 427/4885CA1 693/4885

“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.