SCHEMBL6405519

SCHEMBL6405519

C=C(C)c1cccc(N)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.54
TSHR P16473 3/20 0.54
PIK3CA P42336 1/20 0.54
ALDH1A1 P00352 6/20 0.45
CD44 P16070 1/20 0.38
HSD17B10 Q99714 6/20 0.37
KDM4E B2RXH2 4/20 0.37
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
MMP2 P08253 1/20 0.36
CFTR P13569 1/20 0.35
TDP1 Q9NUW8 3/20 0.34
MAPK14 Q16539 1/20 0.34
HPGD P15428 3/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL13464292 0.83 CYP3A4 (0.54) CYP3A4TSHRPIK3CAALDH1A1CD44
SCHEMBL836606 0.83 CYP3A4 (0.54) CYP3A4TSHRPIK3CAALDH1A1CD44
SCHEMBL9248609 0.80 CD44 (0.44) CYP3A4TSHRPIK3CAALDH1A1CD44
SCHEMBL30762855 0.79 ALDH1A1 (0.48) CYP3A4TSHRPIK3CAALDH1A1HSD17B10
SCHEMBL345557 0.79 ALDH1A1 (0.48) CYP3A4TSHRPIK3CAALDH1A1HSD17B10
Butanedione SCHEMBL28072237 0.79 TSHR (0.50) CYP3A4TSHRPIK3CAALDH1A1HSD17B10
SCHEMBL15694585 0.78 CYP3A4 (0.48) CYP3A4TSHRPIK3CAALDH1A1CD44
SCHEMBL21022100 0.78 CYP3A4 (0.48) CYP3A4TSHRPIK3CAALDH1A1CD44
SCHEMBL715998 0.77 TRPA1 (0.46) CYP3A4TSHRALDH1A1HSD17B10KDM4E
SCHEMBL29407046 0.77 TRPA1 (0.46) CYP3A4TSHRALDH1A1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2914577-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-05-13 EP disclosed
CN-104334629-B Rubber composition for tire tread and pneumatic tire 住友橡胶工业株式会社 2016-08-24 CN disclosed
CN-104334629-A Tread rubber composition and pneumatic tire SUMITOMO RUBBER IND 2015-02-04 CN disclosed
WO-2014067838-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-05-08 WO disclosed
CN-102432759-A Conjugated diene polymer, conjugated diene polymer composition, and method for producing conjugated diene polymer SUMITOMO CHEMICAL CO 2012-05-02 CN disclosed
CN-102286130-A Conjugated diene polymer, conjugated diene polymer composition, and method for producing conjugated diene polymer 2011-12-21 CN disclosed
US-20050085522-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-04-21 US disclosed
EP-1362038-A1 NOVEL ALKYL PHENYLIMINO-IMIDAZOLIDINE DERIVATIVES FOR TREATING URINARY INCONTINENCE Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-11-19 EP disclosed
US-20020169193-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence BOEHRINGER INGELHEIM PHARMA KG 2002-11-14 US disclosed
WO-2002064570-A1 NOVEL ALKYL PHENYLIMINO-IMIDAZOLIDINE DERIVATIVES FOR TREATING URINARY INCONTINENCE BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-22 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 (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-20020169193-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence AGTR2, ADRB2, REN CYP3A4 2910/4885TSHR 1979/4885PIK3CA 3475/4885
US-20050085522-A1 Alkylphenyliminoimidazolidine derivatives for treating urinary incontinence AGTR2, F12, UTS2R CYP3A4 2833/4885TSHR 1522/4885PIK3CA 3753/4885

“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.