SCHEMBL3785152

SCHEMBL3785152

CCSc1cc(N)ccc1-c1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 4/20 0.36
TDP1 Q9NUW8 4/20 0.36
CYP3A4 P08684 3/20 0.36
TP53 P04637 2/20 0.36
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 3/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
CASP1 P29466 1/20 0.33
HTT P42858 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33
PRKCZ Q05513 2/20 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
SCHEMBL3805104 0.89 ADORA2A (0.41) ALDH1A1TDP1CYP3A4TP53KDM4E
SCHEMBL3787049 0.85 TDP1 (0.36) CNR1CNR2ALDH1A1TDP1CYP3A4
SCHEMBL3795022 0.84 MAOA (0.41) CNR1CNR2ALDH1A1CYP3A4TP53
SCHEMBL3789854 0.81 HTR7 (0.46) ALDH1A1TDP1CYP3A4TP53KDM4E
SCHEMBL3788799 0.79 ALDH1A1 (0.40) CNR1CNR2ALDH1A1TDP1CYP3A4
SCHEMBL3787389 0.77 RECQL (0.43) CNR1CNR2ALDH1A1TDP1CYP3A4
SCHEMBL5166565 0.76 MAPT (0.40) ALDH1A1TDP1CYP3A4TP53KDM4E
SCHEMBL3783495 0.75 PTGDR2 (0.36) CNR1CNR2ALDH1A1TDP1CYP3A4
SCHEMBL3792205 0.75 KIT (0.35) ALDH1A1TDP1CYP3A4TP53KDM4E
SCHEMBL3787086 0.75 PTGDR2 (0.42) ALDH1A1TDP1CYP3A4TP53KDM4E

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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 CNR1 2511/4885CNR2 1524/4885ALDH1A1 4339/4885

“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.