SCHEMBL3787337

SCHEMBL3787337

Cc1cccc(-c2ccccc2N)c1N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.62
ALDH1A1 P00352 4/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
CYP3A4 P08684 4/20 0.52
TDP1 Q9NUW8 1/20 0.52
HSD17B10 Q99714 2/20 0.44
TSHR P16473 3/20 0.44
PIK3CA P42336 1/20 0.44
DPP4 P27487 1/20 0.42
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CASP3 P42574 2/20 0.41
RAB9A P51151 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
MAPK1 P28482 1/20 0.41
HBB P68871 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL22289770 0.88 CD44 (0.56) CD44ALDH1A1L3MBTL1CYP3A4TDP1
SCHEMBL30839806 0.88 CD44 (0.62) CD44ALDH1A1L3MBTL1CYP3A4TDP1
SCHEMBL3790203 0.88 CD44 (0.62) CD44ALDH1A1L3MBTL1CYP3A4TDP1
SCHEMBL692396 0.86 CD44 (0.54) CD44ALDH1A1L3MBTL1CYP3A4TDP1
Hydrochloric Acid SCHEMBL11680714 0.85 CD44 (0.59) CD44ALDH1A1L3MBTL1CYP3A4TDP1
SCHEMBL3789724 0.84 CD44 (0.60) CD44ALDH1A1L3MBTL1CYP3A4TDP1
SCHEMBL398724 0.83 ALDH1A1 (0.68) CD44ALDH1A1L3MBTL1CYP3A4TDP1
SCHEMBL11654081 0.83 ALDH1A1 (0.77) CD44ALDH1A1L3MBTL1CYP3A4TDP1
SCHEMBL3794848 0.82 CD44 (0.62) CD44ALDH1A1L3MBTL1CYP3A4TDP1
SCHEMBL29414659 0.82 CD44 (0.62) CD44ALDH1A1L3MBTL1CYP3A4TDP1

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 CD44 4873/4885ALDH1A1 4339/4885L3MBTL1 3838/4885

“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.