SCHEMBL657544

SCHEMBL657544

O=C(CSc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.60
NPC1 O15118 3/20 0.60
ALDH1A1 P00352 6/20 0.58
KMT2A Q03164 6/20 0.58
MEN1 O00255 5/20 0.58
MAPT P10636 4/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
POLB P06746 1/20 0.58
HPGD P15428 1/20 0.58
ALOX15 P16050 1/20 0.58
ALOX12 P18054 1/20 0.58
NR4A1 P22736 1/20 0.58
HTT P42858 1/20 0.58
MCL1 Q07820 1/20 0.58
ESR2 Q92731 1/20 0.58
HSD17B10 Q99714 1/20 0.58
LMNA P02545 1/20 0.57
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54

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
SCHEMBL10874649 0.93 NPC1 (0.65) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL1355962 0.87 CA1 (0.67) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL28981219 0.84 RAB9A (0.59) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL9787355 0.84 ALDH1A1 (0.59) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL1447641 0.84 CA1 (0.59) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL9787103 0.83 KMT2A (0.63) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL2549394 0.83 ALDH1A1 (0.63) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL6826443 0.83 KMT2A (0.63) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL3956515 0.82 CA1 (0.58) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL9565777 0.82 MEN1 (0.64) RAB9ANPC1ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4988662-A MULTILAYER ELEMENT OF A COATED SUBSTRATE, A FILM WITH A COLOR-FORMING LACTONE, AN ACID AND A SENSITIZER DAINIPPON INK AND CHEMICALS, INC. (JP) 1991-01-29 US claimed
CN-112174793-B Method and ligand for breaking C-S bond of alpha-thioaryl ethanone compound 温州大学 2023-03-28 CN disclosed
CN-112174793-A Method and ligand for breaking C-S bond of alpha-thioaryl ethanone compound 温州大学 2021-01-05 CN disclosed
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP disclosed
EP-1349841-B1 ANILINOPYRIMIDINE DERIVATIVES AS IKK INHIBITORS AND COMPOSITIONS AND METHODS RELATED THERETO SIGNAL PHARM LLC (US) 2009-12-02 EP disclosed
CN-1681763-A Chemical compounds ASTRAZENECA AB (SE) 2005-10-12 CN disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
US-20040106634-A1 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC 2004-06-03 US disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed
US-20030220330-A1 Anilinopyrimidine derivatives as JNK pathway inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC 2003-11-27 US disclosed
US-20030203926-A1 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC 2003-10-30 US disclosed
US-4988662-A MULTILAYER ELEMENT OF A COATED SUBSTRATE, A FILM WITH A COLOR-FORMING LACTONE, AN ACID AND A SENSITIZER DAINIPPON INK AND CHEMICALS, INC. (JP) 1991-01-29 US disclosed
US-4133814-A ANTITUMOR AGENTS ELI LILLY AND COMPANY (US) 1979-01-09 US disclosed
US-4022774-A DIURETICS E. R. SQUIBB & SONS, INC. (US) 1977-05-10 US disclosed
US-3957769-A DIURETICS, CENTRAL NERVOUS SYSTEM DEPRESSANTS E. R. SQUIBB & SONS, INC. (US) 1976-05-18 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 (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-20040106634-A1 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK MAPK6, MAPKAPK2, DUSP6 RAB9A 2853/4885NPC1 716/4885ALDH1A1 2358/4885
US-20030203926-A1 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto NFKBIA, IKBKB, IKBKE RAB9A 3929/4885NPC1 2932/4885ALDH1A1 3935/4885
US-20030220330-A1 Anilinopyrimidine derivatives as JNK pathway inhibitors and compositions and methods related thereto MAPK6, MAP3K6, MAPK1 RAB9A 2790/4885NPC1 1779/4885ALDH1A1 2565/4885
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB RAB9A 2902/4885NPC1 2687/4885ALDH1A1 4784/4885

“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.