SCHEMBL83056

SCHEMBL83056

COc1ccc(Br)cc1C(=O)CBr

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.55
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
HSD17B10 Q99714 2/20 0.52
GFER P55789 1/20 0.52
POLB P06746 2/20 0.50
STAT3 P40763 1/20 0.49
ACHE P22303 1/20 0.48
HTR4 Q13639 1/20 0.48
KDM4E B2RXH2 3/20 0.48
KMT2A Q03164 3/20 0.48
HTT P42858 2/20 0.48
HPGD P15428 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
NPSR1 Q6W5P4 3/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL3465985 0.86 HPGDS (0.55) HPGDSALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL20855483 0.86 HMGCR (0.53) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL4528072 0.86 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL20855508 0.85 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL2096737 0.84 HPGDS (0.57) HPGDSALDH1A1SMN1; SMN2MAPTHSD17B10
SCHEMBL6669460 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL30016497 0.83 HTT (0.60) HPGDSALDH1A1SMN1; SMN2MAPTHSD17B10
SCHEMBL628989 0.83 HTT (0.60) HPGDSALDH1A1SMN1; SMN2MAPTHSD17B10
SCHEMBL5478330 0.82 ACHE (0.51) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9
SCHEMBL1221627 0.82 POLB (0.63) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019063748-A1 ROR-GAMMA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-04 WO disclosed
WO-2019063748-A1 ROR-GAMMA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-04 WO disclosed
EP-2753325-B1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2018-09-19 EP disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-11-09 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-9758487-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 US disclosed
US-20160311778-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2016-10-27 US disclosed
US-20080044379-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-7294644-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-11-13 US disclosed
US-20070238754-A1 Novel CB 1 receptor inverse agonists MAYWEG ALEXANDER 2007-10-11 US disclosed
EP-1805164-A2 6-(PYRIDINYL)-4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS Mitsubishi Pharma Corporation (JP) 2007-07-11 EP disclosed
EP-1648876-A1 5-HT SB 2B /SB RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2006-04-26 EP disclosed
WO-2006036015-A2 6- (PYRIDINYL) -4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI PHARMA CORPORATION (JP) 2006-04-06 WO disclosed
EP-1583742-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
WO-2005012263-A1 5-HT2B RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2005-02-10 WO disclosed
US-20040167129-A1 Novel CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. 2004-08-26 US disclosed
WO-2004060870-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 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 (5 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-20040167129-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, ARRB1 HPGDS 1346/4885ALDH1A1 1464/4885SMN1; SMN2 2010/4885
US-20080044379-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HPGDS 582/4885ALDH1A1 1144/4885SMN1; SMN2 4352/4885
US-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 HPGDS 1536/4885ALDH1A1 1498/4885SMN1; SMN2 2083/4885
US-20170320833-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS HPGDS 582/4885ALDH1A1 1144/4885SMN1; SMN2 4352/4885
US-20160311778-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HPGDS 582/4885ALDH1A1 1144/4885SMN1; SMN2 4352/4885

“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.