SCHEMBL1075411

SCHEMBL1075411

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.37
LMNA P02545 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 3/20 0.33
KEAP1 Q14145 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
MAT2A P31153 1/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33

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
SCHEMBL1225303 0.89 CYP1A2 (0.37) NOTUMLMNAKDM4EGAAALDH1A1
SCHEMBL1074565 0.88 PDE2A (0.37) NOTUMLMNAKDM4EGAAALDH1A1
SCHEMBL1904874 0.88 TDP2 (0.40) NOTUMLMNAKDM4EGAAALDH1A1
SCHEMBL1074571 0.86 NOTUM (0.39) NOTUMLMNAKDM4EGAAALDH1A1
SCHEMBL1074544 0.86 KDM4E (0.35) NOTUMLMNAKDM4EGAAALDH1A1
SCHEMBL1225373 0.84 PDE4B (0.40)
SCHEMBL1076468 0.83 POLB (0.37) KDM4EMAPTSMN1; SMN2
SCHEMBL1074563 0.81 NOTUM (0.37) NOTUMLMNAKDM4EGAAALDH1A1
SCHEMBL1074801 0.79 CYP1A2 (0.40) ALDH1A1HPGDALOX15HSD17B10CYP1A2
SCHEMBL1071650 0.77 CYP1A2 (0.35) ALDH1A1CYP1A2SMN1; SMN2

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 2781/4885LMNA 4444/4885KDM4E 788/4885

“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.