SCHEMBL5285258

SCHEMBL5285258

CC(=O)Nc1cccc(N)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
HPGD P15428 2/20 0.55
KDM4E B2RXH2 3/20 0.51
HSD17B10 Q99714 3/20 0.51
CASP3 P42574 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
PIK3CA P42336 1/20 0.48
HDAC1 Q13547 2/20 0.47
GAA P10253 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC2 Q92769 1/20 0.47
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.45
MAOA P21397 1/20 0.45

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
SCHEMBL11310907 0.90 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EHSD17B10CASP3
SCHEMBL11316655 0.89 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EHSD17B10CASP3
SCHEMBL11291980 0.86 NPC1 (0.57) ALDH1A1HPGDKDM4EHSD17B10CASP3
SCHEMBL11320415 0.86 NPC1 (0.53) ALDH1A1KDM4EHSD17B10CASP3NPC1
SCHEMBL14817806 0.86 ALDH1A1 (0.65) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL28176482 0.82 HDAC3 (0.49) ALDH1A1HPGDKDM4EHSD17B10CASP3
SCHEMBL5516360 0.82 ALDH1A1 (0.52) ALDH1A1HPGDKDM4EHSD17B10CASP3
SCHEMBL463597 0.82 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10NPC1RAB9A
SCHEMBL29904721 0.82 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10NPC1RAB9A
SCHEMBL23843372 0.81 CYP3A4 (0.48) ALDH1A1KDM4EHSD17B10CASP3NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117083355-A Coating composition, kit, coating film, and method for forming coating film 东曹株式会社 2023-11-17 CN disclosed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO disclosed
WO-2007085540-A1 1H-INDAZ0L-4-YL-2 , 4-PYRIMIDINEDIAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-08-02 WO disclosed
WO-2007085540-A1 1H-INDAZ0L-4-YL-2 , 4-PYRIMIDINEDIAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-08-02 WO disclosed
WO-2007028445-A1 6-INDOLYL-4-YL-AMINO-5-HALOGENO-2-PYRIMIDINYL-AMINO DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-03-15 WO disclosed
WO-2007028445-A1 6-INDOLYL-4-YL-AMINO-5-HALOGENO-2-PYRIMIDINYL-AMINO DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-03-15 WO disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
WO-2007009681-A1 1 , 1-DIOXID0-2 , 3-DIHYDRO-l , 2-BENZISOTHIAZ0L-6-YL-1H-INDAZOL-4-YL-2 , 4-PYRIMIDINEDI AMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-01-25 WO disclosed
WO-2007009681-A1 1 , 1-DIOXID0-2 , 3-DIHYDRO-l , 2-BENZISOTHIAZ0L-6-YL-1H-INDAZOL-4-YL-2 , 4-PYRIMIDINEDI AMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2007-01-25 WO disclosed
US-20050209213-A1 Quinoline compound TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-22 US disclosed
US-5358949-A Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-25 US disclosed
EP-0425345-B1 Keratinic fibres dyeing process with amino-indoles, composition and use devices OREAL (FR) 1994-09-14 EP disclosed
EP-0371332-B1 Reactive dyes BAYER AG (DE) 1993-10-27 EP disclosed
US-5254135-A Applying indole dye, developing with oxidizing system L'OREAL (FR) 1993-10-19 US disclosed
US-5070193-A REACTIVE PHTHALOCYANINE DYESTUFFS BAYER AAKATIENGESELLSCHAFT (DE) 1991-12-03 US disclosed
US-5051501-A Reactive phthalocyanine dyestuffs containing a fluorochloropyrimidinyl group BAYER AKTIENGESELLSCHAFT (DE) 1991-09-24 US disclosed
CN-1051669-A With the method for amino indole dyeing keratinous fibres, compositions and facilities and equipments OREAL (FR) 1991-05-29 CN disclosed
EP-0425345-A1 Keratinic fibres dyeing process with amino-indoles, composition and use devices L'OREAL (FR) 1991-05-02 EP disclosed
EP-0236140-A2 Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-09-09 EP disclosed
EP-0056475-A2 Pharmaceutical compositions MERCK PATENT GmbH (DE) 1982-07-28 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 (1 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-20050209213-A1 Quinoline compound MC1R, MC2R, TYR ALDH1A1 1174/4885HPGD 499/4885KDM4E 2112/4885

“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.