SCHEMBL3786833

SCHEMBL3786833

CNc1cc(N)cc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.55
TP53 P04637 1/20 0.55
HTR6 P50406 2/20 0.36
ALDH1A1 P00352 5/20 0.36
MAPT P10636 2/20 0.35
IDO1 P14902 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
GRM4 Q14833 1/20 0.33
THRB P10828 1/20 0.32
TSHR P16473 2/20 0.32
EGFR P00533 2/20 0.31
ERBB2 P04626 1/20 0.31
FADS1 O60427 1/20 0.31

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
SCHEMBL463751 0.82 TSHR (0.50) CYP3A4TP53ALDH1A1MAPTIDO1
SCHEMBL13677416 0.82 HTR6 (0.42) CYP3A4TP53HTR6ALDH1A1MAPT
SCHEMBL3783747 0.82 TSHR (0.41) HTR6ALDH1A1MAPTIDO1RAPGEF4
SCHEMBL12990555 0.82 HTR6 (0.47) CYP3A4TP53HTR6ALDH1A1MAPT
SCHEMBL10316417 0.76 CYP3A4 (0.55) CYP3A4TP53ALDH1A1MAPTIDO1
SCHEMBL21249789 0.76 HTR6 (0.40) CYP3A4TP53HTR6ALDH1A1TSHR
SCHEMBL3787936 0.76 CYP3A4 (0.48) CYP3A4TP53HTR6ALDH1A1MAPT
SCHEMBL12991010 0.73 ALDH1A1 (0.60) CYP3A4HTR6ALDH1A1MAPTRAPGEF4
SCHEMBL16786088 0.73 RAPGEF4 (0.48) ALDH1A1MAPTIDO1RAPGEF4LMNA
SCHEMBL25352160 0.73 KDM1A (0.49) CYP3A4TP53ALDH1A1GAA

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 CYP3A4 177/4885TP53 2819/4885HTR6 2438/4885

“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.