SCHEMBL3789435

SCHEMBL3789435

Cc1cccc(-c2ccc(N)cc2)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.48
CYP3A4 P08684 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 1/20 0.42
TAAR1 Q96RJ0 2/20 0.41
HSD17B10 Q99714 1/20 0.41
KIT P10721 2/20 0.41
KDR P35968 2/20 0.41
FLT3 P36888 2/20 0.41
PLA2G7 Q13093 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ANPEP P15144 1/20 0.40
DPP4 P27487 1/20 0.40
ACHE P22303 1/20 0.39
TNKS O95271 1/20 0.38
PARP1 P09874 1/20 0.38

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
SCHEMBL1497244 0.84 ALDH1A1 (0.50) CD44CYP3A4ALDH1A1TDP1HSD17B10
SCHEMBL15620357 0.83 CD44 (0.45) CD44ALDH1A1TP53HSD17B10KDR
SCHEMBL1461187 0.83 CYP3A4 (0.42) CD44CYP3A4ALDH1A1TDP1TP53
SCHEMBL2163513 0.83 CYP3A4 (0.42) CD44CYP3A4ALDH1A1TDP1TP53
Hydrochloric Acid SCHEMBL28212899 0.83 ALDH1A1 (0.48) CD44CYP3A4ALDH1A1TDP1HSD17B10
Hydrochloric Acid SCHEMBL9311004 0.83 ALDH1A1 (0.48) CD44CYP3A4ALDH1A1TDP1HSD17B10
SCHEMBL2176650 0.82 CA12 (0.57) CYP3A4ALDH1A1TDP1TP53TAAR1
SCHEMBL28936806 0.81 CD44 (0.62) CD44CYP3A4ALDH1A1TDP1TP53
SCHEMBL30839806 0.81 CD44 (0.62) CD44CYP3A4ALDH1A1TDP1PLA2G7
SCHEMBL3790203 0.81 CD44 (0.62) CD44CYP3A4ALDH1A1TDP1PLA2G7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102206161-A Diamine, polymer obtained from reaction with the presence of the diamine, liquid crystal aligning agent containing the polymer, liquid crystal alignment layer and liquid crystal display device CHISSO CORP 2011-10-05 CN disclosed
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 CD44 4873/4885CYP3A4 177/4885ALDH1A1 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.