SCHEMBL1074098

SCHEMBL1074098

Cc1nn(C)c(-c2c(F)cccc2F)c1-c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.41
NR3C2 P08235 3/20 0.41
MAPT P10636 1/20 0.40
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
TGFBR1 P36897 1/20 0.39
BRD4 O60885 1/20 0.38
DHODH Q02127 1/20 0.38
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA3 P34903 1/20 0.37
PTGER1 P34995 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CDK8 P49336 1/20 0.36
ACVR1 Q04771 1/20 0.36

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
SCHEMBL3488733 0.76 KDM4C (0.38) MAPTTGFBR1PTGER1KDM4ECYP1A2
SCHEMBL27715053 0.75 PTGS2 (0.56)
SCHEMBL175149 0.73 MAPT (0.38) MAPTBRD4GABRG2GABRB3KDM4E
SCHEMBL1075576 0.73 MAPT (0.34) MAPTBRD4GABRG2GABRB3CDK8
SCHEMBL26570742 0.73 TAAR1 (0.50) MAPTKDM4E
SCHEMBL15639816 0.71 BRD4 (0.45) MAPTHTR1AHTR7BRD4CDK8
SCHEMBL14990157 0.70 PGR (0.33) PGRNR3C2MAPTDHODHKDM4E
SCHEMBL174308 0.70 GRM5 (0.35) PGRNR3C2MAPTBRD4KDM4E
SCHEMBL1726326 0.68 MAPT (0.59) MAPTHTR1AHTR7BRD4KDM4E
SCHEMBL1726309 0.68 MAPT (0.39) MAPTHTR1AHTR7BRD4GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110045101-A1 FUNGICIDAL SUBSTITUTED AZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-24 US disclosed
EP-2274284-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. Du Pont de Nemours and Company (US) 2011-01-19 EP disclosed
WO-2009137538-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-11-12 WO disclosed
WO-2009137651-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-11-12 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-20110045101-A1 FUNGICIDAL SUBSTITUTED AZOLES CBR3, NOX3, CBR1 PGR 3242/4885NR3C2 701/4885MAPT 4335/4885

“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.