SCHEMBL1073301

SCHEMBL1073301

Cc1nc(Cl)c(-c2c(F)cccc2F)n1-c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
PIK3CA P42336 1/20 0.39
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRM5 P41594 2/20 0.39
GRM1 Q13255 4/20 0.38
KDM4E B2RXH2 1/20 0.38
PDE2A O00408 1/20 0.37
PDE10A Q9Y233 1/20 0.37

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
SCHEMBL1075463 0.88 POLB (0.41) POLBPIK3CAGRM5GRM1KDM4E
SCHEMBL1072687 0.88 PDE2A (0.40) POLBPIK3CANPC1CASP3RAB9A
SCHEMBL1074623 0.87 PIK3CA (0.41) POLBPIK3CAGRM1KDM4E
SCHEMBL1902279 0.86 CYP1A2 (0.39) POLBPIK3CANPC1CASP3RAB9A
SCHEMBL1074169 0.85 NPC1 (0.41) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL1073735 0.82 SMN1; SMN2 (0.41) POLBPIK3CAKDM4E
SCHEMBL1076165 0.81 POLB (0.36) POLBPIK3CAGRM5GRM1KDM4E
SCHEMBL1073760 0.81 POLB (0.36) POLBKDM4E
SCHEMBL1074860 0.80 POLB (0.36) POLBPIK3CAGRM5GRM1KDM4E
SCHEMBL1082336 0.79 PDE2A (0.40) POLBPIK3CANPC1CASP3RAB9A

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 10 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-2009137538-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-11-12 WO claimed
WO-2009137651-A2 FUNGICIDAL SUBSTITUTED AZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-11-12 WO claimed
WO-2018048969-A1 MULTI-TARGETED HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-03-15 WO disclosed
WO-2011056463-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-05-12 WO disclosed
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 POLB 4699/4885PIK3CA 528/4885NPC1 605/4885

“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.