SCHEMBL3786406

SCHEMBL3786406

CNc1cccc(N)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.39
CYP3A4 P08684 3/20 0.39
PDK2 Q15119 1/20 0.39
PIK3CA P42336 1/20 0.39
MAPT P10636 5/20 0.37
TDP1 Q9NUW8 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NR4A2 P43354 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36
GAA P10253 3/20 0.35

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
SCHEMBL3788998 0.83 MAPT (0.44) ALDH1A1TSHRPDK2MAPTTDP1
SCHEMBL24722397 0.79 ALDH1A1 (0.41) ALDH1A1TSHRCYP3A4PDK2PIK3CA
SCHEMBL22946826 0.79 ALDH1A1 (0.38) ALDH1A1TSHRMAPTTDP1KDM4E
SCHEMBL3783584 0.77 FABP4 (0.40) ALDH1A1TSHRCYP3A4PIK3CAMAPT
SCHEMBL31427550 0.76 CD44 (0.48) ALDH1A1TSHRCYP3A4PDK2PIK3CA
SCHEMBL29661766 0.76 MEN1 (0.50) ALDH1A1TSHRCYP3A4PDK2MAPT
SCHEMBL5914549 0.76 MEN1 (0.50) ALDH1A1TSHRCYP3A4PDK2MAPT
SCHEMBL6117974 0.76 CD44 (0.48) ALDH1A1TSHRCYP3A4PDK2PIK3CA
SCHEMBL157785 0.75
SCHEMBL29386059 0.75

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 ALDH1A1 4339/4885TSHR 1688/4885CYP3A4 177/4885

“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.