SCHEMBL6017338

SCHEMBL6017338

Sc1ccc2[nH]ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 7/20 0.56
NR4A2 P43354 2/20 0.56
CYP2A6 P11509 2/20 0.56
F7 P08709 1/20 0.56
LTA4H P09960 1/20 0.56
F3 P13726 1/20 0.56
USP2 O75604 1/20 0.56
GAA P10253 1/20 0.56
ALOX15 P16050 1/20 0.56
RAD51 Q06609 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
IMPDH2 P12268 1/20 0.50
IMPDH1 P20839 1/20 0.50
NPC1 O15118 1/20 0.50
F2 P00734 1/20 0.47
GPR84 Q9NQS5 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
TRPA1 O75762 1/20 0.46
ITGB2 P05107 1/20 0.46

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
SCHEMBL5199322 0.81 AHR (0.56) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL130518 0.76 AHR (0.56) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL5850255 0.75 NPC1 (0.79) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL2530865 0.73 GPR84 (0.67) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL131550 0.71 AHR (0.56) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL405311 0.71 AHR (1.00) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL18805065 0.71 AHR (1.00) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL130519 0.71 AHR (0.56) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL228554 0.71 AHR (1.00) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL177313 0.71 AHR (0.56) AHRNR4A2CYP2A6F7LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303591-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-09-28 US disclosed
EP-3892618-A1 4-PYRIDINYL FORMAMIDE COMPOUND OR DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF Qingdao KingAgroot Chemical Compound Co., Ltd. (CN) 2021-10-13 EP disclosed
WO-2018039621-A1 INHIBITION OF OLIG2 ACTIVITY Curtana Pharmaceuticals, Inc. (US) 2018-03-01 WO disclosed
US-20170267670-A1 PIPERAZINE DERIVATIVES FOR TREATING DISORDERS EXONATE LIMITED (GB) 2017-09-21 US disclosed
EP-1682535-A1 HETEROARYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
US-6995263-B2 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2006-02-07 US disclosed
WO-2005049606-A1 HETEROARYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO disclosed
US-20050096353-A1 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 US disclosed
WO-2004085408-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2004-10-07 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 (3 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-20230303591-A1 RAS INHIBITORS KRAS, NRAS, HRAS AHR 2274/4885NR4A2 2843/4885CYP2A6 3745/4885
US-20170267670-A1 PIPERAZINE DERIVATIVES FOR TREATING DISORDERS PGF, GAP43, VHL AHR 3894/4885NR4A2 759/4885CYP2A6 4175/4885
US-20050096353-A1 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG AHR 116/4885NR4A2 102/4885CYP2A6 397/4885

“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.