SCHEMBL1074869

SCHEMBL1074869

Cc1nc(Cl)n(-c2ccc(Cl)cc2)c1-c1c(F)ccc(C#N)c1F

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KMT2A Q03164 2/20 0.36
EGLN2 Q96KS0 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 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
SCHEMBL1075285 0.86 POLB (0.35) KDM4EKMT2AGAAMEN1
SCHEMBL19953097 0.83 POLB (0.33) KDM4EKMT2AGAAMEN1
SCHEMBL1074860 0.83 POLB (0.36) ARKDM4EALDH1A1HPGDNPSR1
SCHEMBL1074648 0.81 BRD4 (0.36) ARKDM4EALDH1A1HPGDNPSR1
SCHEMBL1082336 0.80 PDE2A (0.40) KDM4E
SCHEMBL1075642 0.78 EGLN2 (0.33) KDM4EALDH1A1HPGDKMT2AEGLN2
SCHEMBL1076468 0.77 POLB (0.37) KDM4E
SCHEMBL1076197 0.75 POLB (0.38) KDM4E
SCHEMBL1225604 0.73 GPBAR1 (0.35)
SCHEMBL1074066 0.73 ALDH1A1 (0.34) KDM4EALDH1A1HPGDNPSR1

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 AR 2962/4885KDM4E 788/4885ALDH1A1 2522/4885

“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.