SCHEMBL5176192

SCHEMBL5176192

C=C1CCc2cc(Br)ccc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.53
SRD5A1 P18405 2/20 0.50
SRD5A2 P31213 1/20 0.50
PARP10 Q53GL7 2/20 0.47
PARP11 Q9NR21 1/20 0.47
CYP19A1 P11511 6/20 0.45
CYP11B1 P15538 6/20 0.45
CYP11B2 P19099 6/20 0.45
TYMS P04818 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP2 O95551 1/20 0.39
PNMT P11086 1/20 0.38
ASIC3 Q9UHC3 1/20 0.38
S100A4 P26447 1/20 0.37
PARP1 P09874 1/20 0.35
KDM1A O60341 2/20 0.34

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
SCHEMBL6212303 0.88 METAP1 (0.50) METAP1SRD5A1SRD5A2PARP10PARP11
SCHEMBL31268305 0.84 SRD5A1 (0.64) METAP1SRD5A1SRD5A2PARP10PARP11
SCHEMBL204100 0.84 SRD5A1 (0.64) METAP1SRD5A1SRD5A2PARP10PARP11
SCHEMBL29914776 0.83 TDP1 (0.52) METAP1SRD5A1SRD5A2PARP10PARP11
SCHEMBL3362722 0.83 TDP1 (0.52) METAP1SRD5A1SRD5A2PARP10PARP11
SCHEMBL4817935 0.79 SRD5A1 (0.60) METAP1SRD5A1SRD5A2PARP10PARP11
SCHEMBL17802121 0.77 METAP1 (0.45) METAP1SRD5A1SRD5A2PARP10PARP11
SCHEMBL20797143 0.77 SRD5A1 (0.57) METAP1SRD5A1SRD5A2PARP10PARP11
SCHEMBL20797150 0.77 SRD5A1 (0.57) METAP1SRD5A1SRD5A2PARP10PARP11
SCHEMBL20797234 0.77 SRD5A1 (0.57) METAP1SRD5A1SRD5A2PARP10PARP11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4426287-A1 ALPHA-2A ADRENERGIC RECEPTOR MODULATORS AND USES THEREOF The Regents of the University of California (US) 2024-09-11 EP disclosed
WO-2024109919-A1 PYRIDONE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 盛睿泽华医药科技(苏州)有限公司 2024-05-30 WO disclosed
WO-2023081800-A1 ALPHA-2A ADRENERGIC RECEPTOR MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-11 WO disclosed
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed
WO-2017109061-A1 SPIROCYCLOPROPYLAMINE DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASES KDM1A IEO - ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2017-06-29 WO disclosed
WO-2017109061-A1 SPIROCYCLOPROPYLAMINE DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASES KDM1A IEO - ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2017-06-29 WO disclosed
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
US-20070135433-A1 IMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS DEAN DAVID K 2007-06-14 US disclosed
EP-1776338-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-04-25 EP disclosed
US-7199137-B2 Imidazole derivatives as Raf kinase inhibitors SMITHKLINE BEECHAM PLC (GB) 2007-04-03 US disclosed
WO-2007033002-A1 CONFORMATIONALLY CONSTRAINED 3- (4-HYDROXY-PHENYL) - SUBSTITUTED-PROPANOIC ACIDS USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2007-03-22 WO disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
WO-2006013048-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 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 (2 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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP METAP1 59/4885SRD5A1 196/4885SRD5A2 580/4885
US-20070135433-A1 IMIDAZOLE DERIVATIVES AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF METAP1 3407/4885SRD5A1 4616/4885SRD5A2 4770/4885

“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.