SCHEMBL3459364

SCHEMBL3459364

Cc1cccc(-c2cnc(C)s2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.54
HSD17B2 P37059 4/20 0.54
KDR P35968 2/20 0.47
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
IDO1 P14902 1/20 0.42
METAP2 P50579 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
AOC3 Q16853 2/20 0.40
BCHE P06276 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
SCHEMBL146522 0.84 KDR (0.52) KDRLOXL2AOC3
SCHEMBL2403212 0.82 HSD17B1 (0.47) HSD17B1HSD17B2KDRCYP3A4CYP2C9
SCHEMBL12947929 0.82 MAP4K4 (0.50) HSD17B1HSD17B2MEN1ALDH1A1KMT2A
SCHEMBL29914706 0.82 HSD17B1 (0.68) HSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL1764602 0.82 RAB9A (0.47) HSD17B1HSD17B2KMT2ACYP3A4CYP2C9
SCHEMBL9954813 0.82 ALDH1A1 (0.54) HSD17B1HSD17B2KDRMEN1ALDH1A1
SCHEMBL2407377 0.82 NPC1 (0.44) HSD17B1HSD17B2MEN1ALDH1A1KMT2A
SCHEMBL9954919 0.82 HSD17B1 (0.51) HSD17B1HSD17B2KDRMEN1ALDH1A1
SCHEMBL21228532 0.82 HSD17B1 (0.68) HSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL5521864 0.81 KDR (0.49) HSD17B1HSD17B2KDRLOXL2AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed
EP-3181555-A1 BENZOTHIAZOLE COMPOUNDS AND THEIR PHARMACEUTICAL USE Gilead Sciences, Inc. (US) 2017-06-21 EP disclosed
US-20170088554-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2017-03-30 US disclosed
US-9493446-B2 Orexin receptor antagonists which are [ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]-methanone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-15 US disclosed
US-20160152582-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-06-02 US disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 US disclosed
US-9096586-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-08-04 US disclosed
US-9006229-B2 Benzothiazole compounds and their pharmaceutical use GILEAD SCIENCES, INC. (US) 2015-04-14 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-8025936-B2 Optical compensation film, polarizing plate and liquid crystal display device FUJIFILM CORPORATION (JP) 2011-09-27 US disclosed
US-7968156-B2 Compound, composition, retardation plate, elliptically-polarizing plate and liquid-crystal display device FUJIFILM CORPORATION (JP) 2011-06-28 US disclosed
US-7968157-B2 Discotic nematic material, composition, retardation plate, elliptically-polarizing plate and compound FUJIFILM CORPORATION (JP) 2011-06-28 US disclosed
US-7944530-B2 Optical film, polarizing plate and liquid crystal display device including an optically anisotropic layer formed from a mixture including two or more liquid crystal compounds FUJIFILM CORPORATION (JP) 2011-05-17 US disclosed
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Phamaceuticals Ltd. (CH) 2010-01-21 US disclosed
US-20090233009-A1 COMPOUND, COMPOSITION, RETARDATION PLATE, ELLIPTICALLY-POLARIZING PLATE AND LIQUID-CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2009-09-17 US disclosed
US-20090091690-A1 Optical Compensation Film, Polarizing Plate and Liquid Crystal Display Device FUJIFILM CORPORATION (JP) 2009-04-09 US disclosed
US-20090068378-A1 DISCOTIC NEMATIC MATERIAL, COMPOSITION, RETARDATION PLATE, ELLIPTICALLY-POLARIZING PLATE AND COMPOUND FUJIFILM CORPORATION (JP) 2009-03-12 US disclosed
US-7431972-B2 Optical film, and polarizing plate and liquid crystal display device using the same FUJIFILM CORPORATION (JP) 2008-10-07 US disclosed
US-20070065601-A1 Optical film, and polarizing plate and liquid crystal display device using the same FUJI PHOTO FILM CO., LTD. (JP) 2007-03-22 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 (7 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-20170088554-A1 THERAPEUTIC COMPOUNDS FURIN, NFATC1, NPC1 HSD17B1 555/4885HSD17B2 1044/4885KDR 3871/4885
US-20090068378-A1 DISCOTIC NEMATIC MATERIAL, COMPOSITION, RETARDATION PLATE, ELLIPTICALLY-POLARIZING PLATE AND COMPOUND H1-2, H1-0, CCNL2 HSD17B1 2131/4885HSD17B2 1359/4885KDR 2242/4885
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES HCRTR2, HCRTR1, OXTR HSD17B1 376/4885HSD17B2 341/4885KDR 1622/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 HSD17B1 1145/4885HSD17B2 1164/4885KDR 4143/4885
US-20090233009-A1 COMPOUND, COMPOSITION, RETARDATION PLATE, ELLIPTICALLY-POLARIZING PLATE AND LIQUID-CRYSTAL DISPLAY DEVICE PYM1, CCNA1, CCND1 HSD17B1 1439/4885HSD17B2 1233/4885KDR 2936/4885
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 HSD17B1 696/4885HSD17B2 818/4885KDR 969/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 HSD17B1 531/4885HSD17B2 701/4885KDR 3225/4885

“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.