SCHEMBL177313

SCHEMBL177313

Ic1ccc2[nH]ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 6/20 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
NOS1 P29475 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

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
SCHEMBL2469781 0.88 AHR (0.78) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL8187476 0.84 AHR (0.70) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL566682 0.81 AHR (0.56) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL30389969 0.81 AHR (0.56) AHRNR4A2CYP2A6F7LTA4H
Tert-Butyl Formate SCHEMBL27752469 0.80 CYP2A6 (0.46) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL9117926 0.78 KDM4E (0.44) AHRNR4A2CYP2A6USP2GAA
SCHEMBL5850255 0.75 NPC1 (0.79) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL2530865 0.73 GPR84 (0.67) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL6017338 0.71 AHR (0.56) AHRNR4A2CYP2A6F7LTA4H
SCHEMBL405311 0.71 AHR (1.00) 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 534 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120131638-A Application of indole compound with electron withdrawing group in inhibiting plasmid conjugation transfer 扬州大学 2025-06-13 CN claimed
CN-113943244-B Sulfur-containing gamma, gamma-diindolylbutyramide compounds prepared by difunctional reactions 温州大学 2023-05-23 CN claimed
CN-112574093-B Novel green method for preparing 3-diaryl methyl substituted indole compound 湖南理工学院 2022-10-04 CN claimed
CN-115057803-A S- (methyl-d) 3 ) Synthetic method and application of phenylether substances 杭州师范大学 2022-09-16 CN claimed
CN-112225684-B Synthetic method of organic intermediate 5-iodoindole 山东省农业科学院农产品研究所 2022-06-17 CN claimed
CN-113943244-A Sulfur-containing gamma, gamma-diindolyl butyramide compound prepared by double-functionalization reaction 温州大学 2022-01-18 CN claimed
CN-112574093-A Novel green method for preparing 3-diaryl methyl substituted indole compound 湖南理工学院 2021-03-30 CN claimed
CN-112479972-A Synthesis method of 5-iodoindole compound 西北大学 2021-03-12 CN claimed
CN-112225684-A Synthetic method of organic intermediate 5-iodoindole 山东省农业科学院农产品研究所 2021-01-15 CN claimed
CN-108017557-B Cyanidation method for preparing nitrile compound 中国科学院兰州化学物理研究所苏州研究院 2020-11-24 CN claimed
CN-111004283-A Preparation method of 3-phosphoryl indole compound 南京理工大学 2020-04-14 CN claimed
CN-107778210-B Synthetic method of 3-selenoindole compound 苏州大学 2020-04-10 CN claimed
CN-106117113-A Polysubstituted carbazole, derivant and synthetic method thereof 湘潭大学 2016-11-16 CN claimed
US-20260138948-A1 N-SUBSTITUTED INDOLES AS 5-HYDROXYTRYPTAMINE (5-HT) SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS TERRAN BIOSCIENCES INC (US) 2026-05-21 US disclosed
EP-4720037-A1 CYP26B1 INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF 16380026 Canada Inc. (CA) 2026-04-08 EP disclosed
EP-4720036-A1 CYP26B1 INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF 16380026 Canada Inc. (CA) 2026-04-08 EP disclosed
EP-0875513-A1 Substituted heteroaromatic 5-HT 1F agonists ELI LILLY AND COMPANY (US) 1998-11-04 EP disclosed
WO-1998046570-A1 SUBSTITUTED HETEROAROMATIC 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
WO-1995034658-A1 MICROBIAL PRODUCTION OF INDOLE-3-ACETIC ACIDS AND SUBSTITUTED ANALOGS THEREOF VIA FERMENTATION GENENCOR INTERNATIONAL, INC. (US) 1995-12-21 WO disclosed
WO-1995034657-A2 MICROBIAL PRODUCTION OF 4-, 5-, 6- AND 7-SUBSTITUTED INDOLE AND TRYPTOPHAN ANALOGS VIA FERMENTATION GENENCOR INTERNATIONAL, INC. (US) 1995-12-21 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 (1 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-20260138948-A1 N-SUBSTITUTED INDOLES AS 5-HYDROXYTRYPTAMINE (5-HT) SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS HTR1D, HTR2C, TPH1 AHR 501/4885NR4A2 1825/4885CYP2A6 718/4885

“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.