SCHEMBL1074571

SCHEMBL1074571

Cc1nc(C)n(-c2cccc(F)c2)c1-c1c(F)cc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 4/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
HPD P32754 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
MDM2 Q00987 1/20 0.35
TSHR P16473 1/20 0.35
KEAP1 Q14145 1/20 0.35
GRM5 P41594 1/20 0.34
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34

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
SCHEMBL1075168 0.88 SMN1; SMN2 (0.43) NOTUMHPGDKDM4ELMNAGAA
SCHEMBL1074263 0.87 NOTUM (0.38) NOTUMGLAHPGDKDM4ELMNA
SCHEMBL1074563 0.86 NOTUM (0.37) NOTUMGLAHPGDKDM4ELMNA
SCHEMBL1075411 0.86 NOTUM (0.37) NOTUMHPGDKDM4ELMNAALDH1A1
SCHEMBL1074700 0.85 CACNA2D1 (0.38) NOTUMHPGDLMNAGAAALOX15
SCHEMBL1074281 0.81 GRM1 (0.43)
SCHEMBL1073294 0.80 PIK3CA (0.41) KDM4EGRM5
SCHEMBL18707647 0.80 NOTUM (0.39) NOTUMGLAHPGDKDM4ELMNA
SCHEMBL1907768 0.78 HSD17B10 (0.39) NOTUMGLAHPGDKDM4ELMNA
SCHEMBL1081059 0.76 SMN1; SMN2 (0.41) NOTUMHPGDKDM4ELMNAGAA

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 6 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 claimed
EP-2274284-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. Du Pont de Nemours and Company (US) 2011-01-19 EP claimed
WO-2009137651-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-11-12 WO claimed
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-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 NOTUM 2781/4885GLA 4021/4885HPGD 3927/4885

“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.