SCHEMBL420468

SCHEMBL420468

Cc1ccc(N=C=O)cc1F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.63
TRPA1 O75762 1/20 0.63
TDP1 Q9NUW8 2/20 0.47
MAPK1 P28482 1/20 0.47
TSHR P16473 2/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.34
ACHE P22303 1/20 0.33
ERN1 O75460 1/20 0.33
MTOR P42345 1/20 0.32
DAO P14920 1/20 0.31
KMO O15229 1/20 0.31

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
SCHEMBL8678979 0.87 CYP3A4 (0.68) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL29648923 0.84 CYP3A4 (0.58) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL418944 0.84 CYP3A4 (0.58) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL29824353 0.81 MAPK1 (0.52) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL58809 0.81 CYP3A4 (0.70) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL161540 0.81 MAPK1 (0.52) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL14926680 0.81 MAPT (0.46) CYP3A4TRPA1TDP1MAPK1TSHR
SCHEMBL15221651 0.80 P2RY6 (0.41) CYP3A4TRPA1TDP1TSHRMAPT
SCHEMBL14926697 0.79 MAPT (0.45) CYP3A4TRPA1TDP1MAPK1TSHR
Toluene Diisocyanate SCHEMBL15384 0.78 CYP3A4 (1.00) CYP3A4TRPA1TDP1MAPK1TSHR

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 162 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
CN-122025811-A High-temperature electrolyte additive, electrolyte and lithium ion battery 西安热工研究院有限公司 2026-05-12 CN disclosed
CN-112851635-B Cyclic sulfones compound and preparation method, application and pharmaceutical composition thereof 中国医学科学院药物研究所 2022-09-16 CN disclosed
CN-107849816-B Method for treating paperboard and paper media and related treated paperboard and paper media 巴斯夫欧洲公司 2021-07-09 CN disclosed
CN-112851635-A Cyclic sulfones compound and preparation method, application and pharmaceutical composition thereof 中国医学科学院药物研究所 2021-05-28 CN disclosed
US-10568888-B2 Tricyclic compounds as modulators of TNF-alpha synthesis and as PDE4 inhibitors VTV THERAPEUTICS LLC (US) 2020-02-25 US disclosed
CN-106232667-B Polyiso-ureas 巴斯夫欧洲公司 2020-01-07 CN disclosed
US-20190336506-A1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF-ALPHA SYNTHESIS AND AS PDE4 INHIBITORS HIGH POINT PHARMACEUTICALS, LLC 2019-11-07 US disclosed
US-10391097-B2 Tricyclic compounds as modulators of TNF-alpha synthesis and as PDE4 inhibitors VTV THERAPEUTICS LLC (US) 2019-08-27 US disclosed
US-20180360839-A1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF-ALPHA SYNTHESIS AND AS PDE4 INHIBITORS TRANSTECH PHARMA, INC. 2018-12-20 US disclosed
US-20030162787-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2003-08-28 US disclosed
WO-2003045912-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER-LAMBERT COMPANY LLC (US) 2003-06-05 WO disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO disclosed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP disclosed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US disclosed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO disclosed
EP-0973936-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 2000-01-26 EP disclosed
US-5942387-A Combinatorial process for preparing substituted thiophene libraries ELI LILLY AND COMPANY (US) 1999-08-24 US disclosed
WO-1998046786-A1 COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS ELI LILLY AND COMPANY (US) 1998-10-22 WO disclosed
EP-0816309-A1 Scavenger assisted combinatorial process for preparing libraries of urea and thiourea compounds ELI LILLY AND COMPANY (US) 1998-01-07 EP 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 (5 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-20190336506-A1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF-ALPHA SYNTHESIS AND AS PDE4 INHIBITORS PDE4A, PDE4B, TNF CYP3A4 124/4885TRPA1 754/4885TDP1 652/4885
US-20180360839-A1 TRICYCLIC COMPOUNDS AS MODULATORS OF TNF-ALPHA SYNTHESIS AND AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C CYP3A4 106/4885TRPA1 3211/4885TDP1 621/4885
US-10568888-B2 Tricyclic compounds as modulators of TNF-alpha synthesis and as PDE4 inhibitors PDE4A, PDE4B, TNF CYP3A4 124/4885TRPA1 754/4885TDP1 652/4885
US-20030162787-A1 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade TFPI, F11, F12 CYP3A4 1036/4885TRPA1 4424/4885TDP1 1451/4885
US-10391097-B2 Tricyclic compounds as modulators of TNF-alpha synthesis and as PDE4 inhibitors PDE4A, PDE4B, PDE4C CYP3A4 106/4885TRPA1 3211/4885TDP1 621/4885

“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.