SCHEMBL1225604

SCHEMBL1225604

COc1ccc(F)c(-c2c(C)nc(Cl)n2-c2ccc(F)cc2)c1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
CHRNA7 P36544 1/20 0.33
CYP2C9 P11712 2/20 0.33
GRM8 O00222 1/20 0.33
CYP1A2 P05177 1/20 0.33
TACR1 P25103 1/20 0.33
GRM7 Q14831 1/20 0.33
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL1074066 0.93 ALDH1A1 (0.34) LMNAMAPTPTGS1PTGS2CYP2C9
SCHEMBL1075665 0.89 PTGS2 (0.34) GPBAR1LMNAMAPTTSHRPTGS1
SCHEMBL1073238 0.88 GRM5 (0.37) GPBAR1MAPTCYP2C9GRM8CYP1A2
SCHEMBL1224856 0.83 GRM5 (0.36) LMNAMAPTTSHRPTGS1PTGS2
SCHEMBL19953168 0.82 SMN1; SMN2 (0.36) PTGS1PTGS2
SCHEMBL1073973 0.81 SMN1; SMN2 (0.35) PTGS1PTGS2CHRNA7
SCHEMBL1075285 0.80 POLB (0.35) MAPTNPC1RAB9A
SCHEMBL1073628 0.80 MEN1 (0.37) MAPTNPC1RAB9A
SCHEMBL1075200 0.80 ALDH1A1 (0.36) GPBAR1LMNAMAPTTSHRPTGS1
SCHEMBL19953097 0.78 POLB (0.33) MAPTNPC1RAB9A

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 2 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
US-20110045101-A1 FUNGICIDAL SUBSTITUTED AZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-24 US 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 GPBAR1 3153/4885LMNA 4444/4885MAPT 4335/4885

“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.