SCHEMBL694204

SCHEMBL694204

Cc1cc(C)c(C)nc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.41
NOS2 P35228 2/20 0.41
NOS1 P29475 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
NQO2 P16083 1/20 0.35
KDM4E B2RXH2 3/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 2/20 0.34
RAD52 P43351 1/20 0.34
KMT2A Q03164 1/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
MAOB P27338 1/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL28292898 0.78 NOS3 (0.44) NOS3NOS2NOS1SMN1; SMN2CYP1A2
SCHEMBL4331730 0.78 NOS3 (0.33) NOS3NOS2NOS1SMN1; SMN2CYP1A2
SCHEMBL9753602 0.78 NOS3 (0.44) NOS3NOS2NOS1SMN1; SMN2CYP1A2
SCHEMBL4928726 0.78 ALDH1A1 (0.35) NOS3NOS2NOS1SMN1; SMN2CYP1A2
SCHEMBL38665080 0.78 CYP3A4 (0.46) NOS3NOS2NOS1SMN1; SMN2CYP1A2
SCHEMBL31096856 0.78 ALDH1A1 (0.35) NOS3NOS2NOS1SMN1; SMN2CYP1A2
SCHEMBL19674785 0.78 CD44 (0.35) NOS3NOS2NOS1SMN1; SMN2CYP1A2
SCHEMBL22332415 0.78 KDM4E (0.37) NOS3NOS2NOS1SMN1; SMN2CYP1A2
SCHEMBL21587311 0.78 CYP3A4 (0.46) NOS3NOS2NOS1SMN1; SMN2CYP1A2
SCHEMBL14036990 0.78 TDP1 (0.46) NOS3NOS2NOS1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118557578-A Novel iron death inhibitor and application thereof in treatment of iron overload related diseases 秦皓禹 2024-08-30 CN claimed
US-20230286932-A1 SYNTHETIC METHODS FOR PREPARATION OF 4-(2-CHLORO-4-METHOXY-5-METHYLPHENYL)-N-[(1S)-2-CYCLOPROPYL-1-(3-FLUORO-4-METHYLPHENYL)ETHYL]-5-METHYL-N-PROP-2-YNYL-1,3-THIAZOL-2-AMINE NEUROCRINE BIOSCIENCES, INC. 2023-09-14 US claimed
CN-115087647-A Synthetic method for preparing 4- (2-chloro-4-methoxy-5-methylphenyl) -N- [ (1S) -2-cyclopropyl-1- (3-fluoro-4-methylphenyl) ethyl ] -5-methyl-N-prop-2-alkynyl-1, 3-thiazol-2-amine 纽罗克里生物科学有限公司 2022-09-20 CN claimed
WO-2021111179-A1 SYNTHETIC METHOD FOR PREPARATION OF 4-(2-CHLORO-4-METHOXY-5-METHYLPHENYL)-N-[(1S)-2-CYCLOPROPYL-1-(3-FLUORO-4-METHYLPHENYL)ETHYL]-5-METHYL-N-PROP-2-YNYL-1,3-THIAZOL-2-AMINE NEUROCRINE BIOSCIENCES, INC. (US) 2021-06-10 WO claimed
US-20170137489-A1 Process for the Synthesis of Therapeutic Peptides IPSEN MANUFACTURING IRELAND LIMITED (IE) 2017-05-18 US claimed
WO-2015181491-A1 METHOD FOR GRAFTING OLIGOPEPTIDES INTO POROUS HYBRID MATERIALS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS - (FR) 2015-12-03 WO claimed
US-20110207931-A1 PREPARATION OF VALGANCICLOVIR AND ITS SALTS DR. REDDY'S LABORATORIES LIMITED (IN) 2011-08-25 US claimed
WO-2011067189-A2 CMET INHIBITORS FOR TREATING ENDOMETRIOSIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-09 WO claimed
US-20110015108-A1 Aqueous Buffered Fluoride-Containing Etch Residue Removers and Cleaners AIR PRODUCTS AND CHEMICALS, INC. (US) 2011-01-20 US claimed
US-7807613-B2 Aqueous buffered fluoride-containing etch residue removers and cleaners AIR PRODUCTS AND CHEMICALS, INC. (US) 2010-10-05 US claimed
US-6982315-B2 Process for the preparation of carboxamides BAYER AKTIENGESELLSCHAFT (DE) 2006-01-03 US claimed
US-20040266637-A1 Aqueous buffered fluoride-containing etch residue removers and cleaners VERSUM MATERIALS US, LLC 2004-12-30 US claimed
EP-1373190-A2 METHOD FOR THE PRODUCTION OF CARBOXYLIC ACID AMIDES Bayer Chemicals AG (DE) 2004-01-02 EP claimed
US-20020193594-A1 Process for the preparation of carboxamides LANXESS DEUTSCHLAND GMBH (DE) 2002-12-19 US claimed
US-6495695-B2 A GASEOUS MIXTURE OF METHYL ETHYL KETONE, FORMALDEHYDE AND AMMONIA IS SUPPLIED OVER THE ZEOLILTE CATALYST AND REACTED IN GAS PHASE TO FORM DI, TRI OR TETRAMETHYL PYRIDINE COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-12-17 US claimed
WO-2002076927-A2 METHOD FOR THE PRODUCTION OF CARBOXYLIC ACID AMIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-10-03 WO claimed
EP-0220204-A1 THERMOSETTABLE POLYSTYRYLPYRIDINE PREPOLYMER TERMINATED WITH ETHYLENICALLY UNSATURATED GROUPS AND CURED PRODUCTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1987-05-06 EP claimed
US-4658032-A Process for producing 2,3,5-collidine and/or 2,3,5,6-tetramethylpyridine KOEI CHEMICAL CO., LTD. (JP) 1987-04-14 US claimed
WO-1986006386-A1 THERMOSETTABLE POLYSTYRYLPYRIDINE PREPOLYMER TERMINATED WITH ETHYLENICALLY UNSATURATED GROUPS AND CURED PRODUCTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1986-11-06 WO claimed
US-4575542-A Thermosettable polystyrylpyridine prepolymer terminated with ethylenically unsaturated groups and cured products therefrom THE DOW CHEMICAL COMPANY (US) 1986-03-11 US claimed

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

For each of this compound's patents that has machine-readable text (4 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-20020193594-A1 Process for the preparation of carboxamides VIP, QPCT, DNPEP NOS3 3509/4885NOS2 2933/4885NOS1 3690/4885
US-20170137489-A1 Process for the Synthesis of Therapeutic Peptides NPEPPS, DNPEP, QPCT NOS3 3248/4885NOS2 3293/4885NOS1 3165/4885
US-20230286932-A1 SYNTHETIC METHODS FOR PREPARATION OF 4-(2-CHLORO-4-METHOXY-5-METHYLPHENYL)-N-[(1S)-2-CYCLOPROPYL-1-(3-FLUORO-4-METHYLPHENYL)ETHYL]-5-METHYL-N-PROP-2-YNYL-1,3-THIAZOL-2-AMINE CYP21A2, NR5A1, HSD3B1 NOS3 2561/4885NOS2 3003/4885NOS1 2592/4885
US-20110207931-A1 PREPARATION OF VALGANCICLOVIR AND ITS SALTS TYMP, CYP3A7, CYP2C9 NOS3 4625/4885NOS2 3434/4885NOS1 4488/4885

“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.