SCHEMBL288741

SCHEMBL288741

CCOc1cc(Br)cc(CCl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.38
GPR35 Q9HC97 1/20 0.36
THRB P10828 1/20 0.35
MAOB P27338 2/20 0.34
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.32
SOD1 P00441 1/20 0.32
IDO1 P14902 1/20 0.31

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
SCHEMBL16396585 0.85 NQO1 (0.38) NQO1THRBMAOBKDM4ESMN1; SMN2
SCHEMBL4478481 0.82 NQO1 (0.39) NQO1THRBMAOBKDM4ECHRM2
SCHEMBL2283160 0.81 NQO1 (0.50) NQO1GPR35MAOBKDM4EMAPT
SCHEMBL16729314 0.81 MAOB (0.34) MAOBSOD1IDO1
SCHEMBL28764954 0.80 ALDH1A1 (0.40) MAOBSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL25005892 0.78 NQO1 (0.35) NQO1THRBMAOBMAPTALDH1A1
SCHEMBL21802870 0.77 GAA (0.35) NQO1MAOBKDM4EMAPTNPC1
SCHEMBL18241281 0.75 THRB (0.61) THRBMAPTTSHR
SCHEMBL18252683 0.75 MAOB (0.34) NQO1GPR35THRBMAOBKDM4E
SCHEMBL13144454 0.74 NQO1 (0.42) NQO1GPR35MAOBKDM4EMAPT

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200095217-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-03-26 US disclosed
US-10450288-B2 Hydroxy formamide derivatives and their use GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-10-22 US disclosed
US-10450288-B2 Hydroxy formamide derivatives and their use GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-10-22 US disclosed
US-20160340328-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-11-24 US disclosed
US-20160340328-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-11-24 US disclosed
US-20160340328-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-11-24 US disclosed
EP-3092233-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2016-11-16 EP disclosed
CN-106103431-A Hydroxycarboxamide derivatives and their use 葛兰素史密斯克莱知识产权(第2 号)有限公司 2016-11-09 CN disclosed
WO-2015104684-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-07-16 WO disclosed
EP-2427465-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2012-03-14 EP disclosed
US-20120041012-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
US-20120041012-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
US-20120041012-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
WO-2010129729-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2010-11-11 WO disclosed
WO-2010129729-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2010-11-11 WO 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-20200095217-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE BMP1, BMPR1A, BMPR2 NQO1 3354/4885GPR35 2053/4885THRB 172/4885
US-20160340328-A1 HYDROXY FORMAMIDE DERIVATIVES AND THEIR USE BMP1, BMPR1A, BMPR2 NQO1 3354/4885GPR35 2053/4885THRB 172/4885
US-20120041012-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS SSTR5, SSTR2, GPR119 NQO1 4268/4885GPR35 50/4885THRB 76/4885
US-10450288-B2 Hydroxy formamide derivatives and their use BMP1, BMPR1A, BMPR2 NQO1 3354/4885GPR35 2053/4885THRB 172/4885

“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.