SCHEMBL864536

SCHEMBL864536

[O-][n+]1c(S)cnc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
ATM Q13315 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
APOBEC3G Q9HC16 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GPR3 P46089 1/20 0.32
PDE10A Q9Y233 1/20 0.31
CYP1A2 P05177 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
CASP6 P55212 1/20 0.31
KMT2A Q03164 1/20 0.31
ERN1 O75460 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
SCHEMBL13503079 0.76 CRHBP (0.37) CRHBPCRHR2KEAP1NFE2L2ATM
SCHEMBL27913228 0.76 CRHBP (0.40) CRHBPCRHR2KEAP1NFE2L2ATM
SCHEMBL11710268 0.76 CRHBP (0.37) CRHBPCRHR2KEAP1NFE2L2ATM
SCHEMBL3887568 0.76 CRHBP (0.34) CRHBPCRHR2KEAP1NFE2L2ATM
SCHEMBL4899652 0.73 BCL2 (0.37) CRHBPCRHR2KEAP1NFE2L2ATM
SCHEMBL28159300 0.72 ERN1 (0.41) CRHBPCRHR2KEAP1NFE2L2ATM
Methane SCHEMBL27899889 0.71 CRHBP (0.36) CRHBPCRHR2KEAP1NFE2L2ATM
SCHEMBL6251001 0.71 ALDH1A1 (0.43) CRHBPCRHR2KEAP1NFE2L2ALDH1A1
SCHEMBL29359446 0.69 CRHBP (0.61) CRHBPCRHR2KEAP1NFE2L2ATM
SCHEMBL51330 0.69 CRHBP (0.61) CRHBPCRHR2KEAP1NFE2L2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010114493-A1 LANTHANIDE METAL COMPLEXES USEFUL IN TREATING CANCER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-10-07 WO claimed
US-3971725-A 2-Mercaptoquinoxaline-1-oxides, salts thereof and 2-(1-oxoquinoxalinyl)disulfides in detergent compositions COLGATE-PALMOLIVE COMPANY (US) 1976-07-27 US claimed
US-8338338-B2 Formulations comprising triazoles and alkoxylated amines JANSSEN PHARMACEUTICA N.V. (BE) 2012-12-25 US disclosed
US-20120077792-A1 LANTHANIDE METAL COMPLEXES USEFUL IN TREATING CANCER NATIONAL UNIVERSITY OF SINGAPORE (SG) 2012-03-29 US disclosed
US-20100099724-A1 Formulations Comprising Triazoles and Alkoxylated Amines JANSSEN PHARMACEUTICA N.V. (BE) 2010-04-22 US disclosed
US-7662748-B2 Such as azaconazole, bromuconazole, and N,N',N'-tris(2-hydroxyethyl)-N-cocoalkyl-1,3-diamino-propane; kits; for protection of crops, plants, fruits, seeds, wood products, thatch, biodegradable material and textiles JANSSEN PHARMACEUTICA, N.V. (BE) 2010-02-16 US disclosed
WO-2008140469-A2 ANTIMICROBIAL COMPOSITIONS, METHODS AND SYSTEMS ELEVANCE RENEWABLE SCIENCES, INC. (US) 2008-11-20 WO disclosed
US-20080033026-A1 Antimicrobial compositions, methods and systems ELEVANCE RENEWABLE SCIENCES, INC. 2008-02-07 US disclosed
EP-1473996-B1 FORMULATIONS COMPRISING TRIAZOLES AND ALKOXYLATED AMINES JANSSEN PHARMACEUTICA NV (BE) 2006-04-26 EP disclosed
US-20050124690-A1 Pharmaceutical composition for the treatment of seborrhea containing 4-hydroxy-5-methoxy-4-[2-methyl-3(3-methyl-2-butenyl)-2-oxiranyl]-1-oxaspiro[2,5]octan-6-one MYCOPLUS CO., LTD. (KR) 2005-06-09 US disclosed
US-20050080089-A1 Formulations comprising triazoles and alkoxylated amines AKZO NOBEL CHEMICALS BV (NL) 2005-04-14 US disclosed
EP-0148526-A1 Water-dilutable wood-preserving liquids JANSSEN PHARMACEUTICA N.V. (BE) 1985-07-17 EP disclosed
EP-0038109-B1 AGENTS AND METHOD FOR THE PROTECTION OF COATINGS AND WOOD AND OTHER NON-LIVING ORGANIC SUBSTRATES FROM DETERIORATION BY MICRO-ORGANISMS JANSSEN PHARMACEUTICA N.V. (BE) 1984-08-29 EP disclosed
US-4364949-A BACTERICIDE, FUNGICIDE CIBA-GEIGY CORPORATION (US) 1982-12-21 US disclosed
US-4339462-A BACTERICIDES CIBA-GEIGY CORPORATION (US) 1982-07-13 US disclosed
EP-0038109-A2 Agents and method for the protection of coatings and wood and other non-living organic substrates from deterioration by micro-organisms JANSSEN PHARMACEUTICA N.V. (BE) 1981-10-21 EP disclosed
US-4268693-A 3-Hydroxydiphenyl ethers CIBA-GEIGY CORPORATION (US) 1981-05-19 US disclosed
US-3971725-A 2-Mercaptoquinoxaline-1-oxides, salts thereof and 2-(1-oxoquinoxalinyl)disulfides in detergent compositions COLGATE-PALMOLIVE COMPANY (US) 1976-07-27 US disclosed
US-3971725-A 2-Mercaptoquinoxaline-1-oxides, salts thereof and 2-(1-oxoquinoxalinyl)disulfides in detergent compositions COLGATE-PALMOLIVE COMPANY (US) 1976-07-27 US disclosed
US-3852443-A 2-MERCAPTOQUINOXALINE-1-OXIDES, SALTS THEREOF AND-(1-OXOQUINOXALINYL) DISULFIDES FOR TREATING HAIR AND SKIN COLGATE PALMOLIVE CO 1974-12-03 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 (5 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-20120077792-A1 LANTHANIDE METAL COMPLEXES USEFUL IN TREATING CANCER IAPP, RNASE1, LETM1 CRHBP 4300/4885CRHR2 4334/4885KEAP1 764/4885
US-20050080089-A1 Formulations comprising triazoles and alkoxylated amines ALKBH3, TYR, NAT1 CRHBP 4785/4885CRHR2 4224/4885KEAP1 147/4885
US-20080033026-A1 Antimicrobial compositions, methods and systems DHCR7, SPOUT1, DSTN CRHBP 4649/4885CRHR2 4136/4885KEAP1 1112/4885
US-20100099724-A1 Formulations Comprising Triazoles and Alkoxylated Amines ALKBH3, TYR, NAT1 CRHBP 4785/4885CRHR2 4224/4885KEAP1 147/4885
US-20050124690-A1 Pharmaceutical composition for the treatment of seborrhea containing 4-hydroxy-5-methoxy-4-[2-methyl-3(3-methyl-2-butenyl)-2-oxiranyl]-1-oxaspiro[2,5]octan-6-one SRD5A2, CYP17A1, SRD5A1 CRHBP 2879/4885CRHR2 1773/4885KEAP1 2658/4885

“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.