SCHEMBL141272

SCHEMBL141272

CC(N)c1csc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.55
CYP2A6 P11509 3/20 0.46
MAPT P10636 1/20 0.46
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL1105793 1.00 ALOX5 (0.55) ALOX5CYP2A6MAPTSLC6A2SLC6A4
SCHEMBL30239199 1.00 ALOX5 (0.55) ALOX5CYP2A6MAPTSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL1096731 0.98 ALOX5 (0.54) ALOX5CYP2A6MAPTSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL10460821 0.98 ALOX5 (0.54) ALOX5CYP2A6MAPTSLC6A2SLC6A4
SCHEMBL717441 0.83 ALOX5 (0.54) ALOX5CYP2A6MAPTSLC6A2SLC6A4
SCHEMBL25462183 0.80 ALOX5 (0.51) ALOX5CYP2A6MAPTSLC6A2SLC6A4
SCHEMBL2977121 0.80 ALOX5 (0.51) ALOX5CYP2A6MAPTSLC6A2SLC6A4
SCHEMBL1095514 0.80 ALOX5 (0.55) ALOX5CYP2A6MAPTSLC6A2SLC6A4
SCHEMBL2967148 0.80 ALOX5 (0.55) ALOX5CYP2A6MAPTSLC6A2SLC6A4
SCHEMBL24406257 0.80 ALOX5 (0.55) ALOX5CYP2A6MAPTSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010136037-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2010-12-02 WO claimed
US-20240166598-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-05-23 US disclosed
US-20240083857-A1 2-Methyl-Quinazolines Bayer Pharma AG (DE) 2024-03-14 US disclosed
WO-2022169891-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THE SAME ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2022-08-11 WO disclosed
US-20220235013-A1 2-METHYL-QUINAZOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-07-28 US disclosed
EP-3601267-A1 2-METHYL-QUINAZOLINES Bayer Pharma Aktiengesellschaft (DE) 2020-02-05 EP disclosed
WO-2018172250-A1 2-METHYL-QUINAZOLINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-09-27 WO disclosed
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US disclosed
US-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 US disclosed
EP-2431362-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-03-21 EP disclosed
US-7511062-B2 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORPORATION (US) 2009-03-31 US disclosed
WO-2009012375-A2 SQUARATE KINASE INHIBITORS WYETH (US) 2009-01-22 WO disclosed
US-7276518-B2 Substituted cyclohexane-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2007-10-02 US disclosed
US-20070213351-A1 Spirocyclic cyclohexane compounds GRUENENTHAL GMBH (DE) 2007-09-13 US disclosed
US-20060069098-A1 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2006-03-30 US disclosed
US-20040162287-A1 Substituted cyclohexane-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2004-08-19 US disclosed
US-4932998-A LOW PHYTOTOXICITY FOR PADDY RICE PLANTS IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-06-12 US disclosed
EP-0216259-B1 TRIAZINE DERIVATIVES, A PROCESS FOR PREPARATION OF THE DERIVATIVES, AND HERBICIDES CONTAINING THE DERIVATIVES AS THE EFFECTIVE COMPONENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-02-28 EP disclosed
US-4740230-A Triazine derivatives, and herbicides containing the derivatives as the effective component IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-04-26 US disclosed
EP-0216259-A1 Triazine derivatives, a process for preparation of the derivatives, and herbicides containing the derivatives as the effective component IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-04-01 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 (6 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-20040162287-A1 Substituted cyclohexane-1,4-diamine compounds DPYD, DDC, QDPR ALOX5 1569/4885CYP2A6 94/4885MAPT 1188/4885
US-20240083857-A1 2-Methyl-Quinazolines NRAS, KRAS, KSR2 ALOX5 3771/4885CYP2A6 993/4885MAPT 4627/4885
US-20070213351-A1 Spirocyclic cyclohexane compounds PKD1, PKD2, NR3C2 ALOX5 2260/4885CYP2A6 24/4885MAPT 3211/4885
US-20240166598-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USING THE SAME SARS1, ACE, PLPBP ALOX5 372/4885CYP2A6 2161/4885MAPT 1135/4885
US-20060069098-A1 Bicyclic compound CRH, NR3C2, CRHR1 ALOX5 4101/4885CYP2A6 1650/4885MAPT 1858/4885
US-20220235013-A1 2-METHYL-QUINAZOLINES NRAS, KRAS, KSR2 ALOX5 3771/4885CYP2A6 993/4885MAPT 4627/4885

“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.