SCHEMBL1074755

SCHEMBL1074755

COc1ccc(F)c(-c2c(Cl)nc(C)n2-c2cccc(OC(F)F)c2)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE4B Q07343 6/20 0.36
P2RX7 Q99572 5/20 0.35
TSHR P16473 2/20 0.35
HTT P42858 2/20 0.35
FPR1 P21462 2/20 0.35
FPR2 P25090 2/20 0.35
CYP1A2 P05177 1/20 0.35
THRB P10828 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
ESR1 P03372 1/20 0.34
TP53 P04637 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
SCHEMBL1075615 0.89 MEN1 (0.37) SMN1; SMN2MAPTMEN1NPC1RAB9A
SCHEMBL1076320 0.86 MAPT (0.35) SMN1; SMN2MAPTMEN1NPC1RAB9A
SCHEMBL1073628 0.86 MEN1 (0.37) SMN1; SMN2MAPTMEN1NPC1RAB9A
SCHEMBL1073760 0.81 POLB (0.36) SMN1; SMN2TSHRHTTLMNA
SCHEMBL1074015 0.81 GRM1 (0.39) PDE4BP2RX7CYP1A2
SCHEMBL1075218 0.80 HSP90AA1 (0.35) SMN1; SMN2MAPTNPC1RAB9AHTT
SCHEMBL1224856 0.80 GRM5 (0.36) MAPTTSHRLMNA
SCHEMBL1903762 0.80 HCRTR1 (0.38) MEN1KMT2ATSHRFPR1FPR2
SCHEMBL1073566 0.75 SMN1; SMN2 (0.44) SMN1; SMN2KMT2ATSHRHTTCYP1A2
SCHEMBL1074776 0.74 NOTUM (0.36) CYP1A2LMNA

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 8 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
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 SMN1; SMN2 4003/4885MAPT 4335/4885MEN1 1078/4885

“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.