SCHEMBL3885663

SCHEMBL3885663

CN(C)c1ccc(F)c(N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
ALOX15 P16050 2/20 0.46
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 4/20 0.43
HSD17B10 Q99714 1/20 0.43
APP P05067 3/20 0.42
APAF1 O14727 1/20 0.42
MAT2A P31153 1/20 0.40
KCNH2 Q12809 1/20 0.40
TERT O14746 1/20 0.40
CYP2A6 P11509 1/20 0.37
CYP2A13 Q16696 1/20 0.37
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
S100B P04271 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL7744331 0.82 ALDH1A1 (0.50) ALDH1A1ALOX15CYP3A4MAPK1TDP1
SCHEMBL11301670 0.78 S100B (0.60) ALDH1A1ALOX15CYP3A4MAPK1TDP1
SCHEMBL7692723 0.78 ALDH1A1 (0.50) ALDH1A1ALOX15CYP3A4MAPK1TDP1
SCHEMBL31361979 0.78 ALDH1A1 (0.52) ALDH1A1ALOX15CYP3A4MAPK1TDP1
SCHEMBL2313495 0.78 ALDH1A1 (0.52) ALDH1A1ALOX15CYP3A4MAPK1TDP1
SCHEMBL14115708 0.77 SMN1; SMN2 (0.44) ALDH1A1ALOX15MAPK1TP53HSD17B10
SCHEMBL2858939 0.77 ALDH1A1 (0.35) ALDH1A1CYP3A4MAPK1HSD17B10KMT2A
SCHEMBL15935766 0.74 MAPT (0.47) ALDH1A1ALOX15CYP3A4MAPK1TDP1
SCHEMBL2367265 0.74 APAF1 (0.56) ALDH1A1ALOX15CYP3A4MAPK1TDP1
SCHEMBL29161898 0.73 JAK3 (0.35) ALDH1A1CYP3A4KCNH2KMT2AKDM4E

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
CN-114989173-B Imidazole compound, pharmaceutical composition and application thereof 广州市恒诺康医药科技有限公司 2024-03-19 CN disclosed
WO-2022184000-A1 IMIDAZOLE COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 广州市恒诺康医药科技有限公司 2022-09-09 WO disclosed
CN-114989173-A Imidazole compound, pharmaceutical composition and application thereof 广州市恒诺康医药科技有限公司 2022-09-02 CN disclosed
WO-2022011274-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GOLDFINCH BIO, INC. (US) 2022-01-13 WO disclosed
EP-2687507-B1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2016-03-09 EP disclosed
US-9035059-B2 Nitrogen-containing condensed heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-05-19 US disclosed
US-9035059-B2 Nitrogen-containing condensed heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-05-19 US disclosed
WO-2014118092-A2 DYE COMPOSITION COMPRISING AT LEAST ONE PARTICULAR LIPOPHILIC META-PHENYLENEDIAMINE COUPLER IN A MEDIUM RICH IN FATTY SUBSTANCES, PROCESSES AND DEVICES L'OREAL (FR) 2014-08-07 WO disclosed
EP-2687507-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2014-01-22 EP disclosed
US-7566736-B2 Substituted indoles, compositions containing them, method for the production thereof and their use AVENTIS PHARMA S.A. (FR) 2009-07-28 US disclosed
US-20070259910-A1 Substituted Indoles, Compositions Containing Them, Method for the Production Thereof and Their Use AVENTIS PHARMA S.A. (FR) 2007-11-08 US disclosed
EP-1841762-A1 SUBSTITUTED INDOLES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE Aventis Pharma S.A. (FR) 2007-10-10 EP disclosed
WO-2006061493-A1 SUBSTITUTED INDOLES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AVENTIS PHARMA S.A. (FR) 2006-06-15 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-20070259910-A1 Substituted Indoles, Compositions Containing Them, Method for the Production Thereof and Their Use IDO1, RB1, IDO2 ALDH1A1 304/4885ALOX15 1271/4885CYP3A4 286/4885

“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.