SCHEMBL3785261

SCHEMBL3785261

Cc1ccc(-c2cccc(C)c2N)cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.48
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 4/20 0.43
CASP1 P29466 1/20 0.43
CYP3A4 P08684 5/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
TSHR P16473 5/20 0.40
LMNA P02545 1/20 0.40
CTSD P07339 1/20 0.39
BACE1 P56817 1/20 0.39
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
SCHEMBL3784935 0.85 CYP3A4 (0.59) CD44ALDH1A1TDP1CYP3A4RAB9A
SCHEMBL31607636 0.85 CYP3A4 (0.59) CD44ALDH1A1TDP1CYP3A4RAB9A
SCHEMBL30839740 0.85 CYP3A4 (0.59) CD44ALDH1A1TDP1CYP3A4RAB9A
SCHEMBL24319810 0.84 ALDH1A1 (0.46) CD44ALDH1A1TDP1CASP1CYP3A4
SCHEMBL3784886 0.81 CYP3A4 (0.48) CD44ALDH1A1TDP1CASP1CYP3A4
SCHEMBL3802241 0.80 ALDH1A1 (0.52) ALDH1A1TDP1CASP1CYP3A4RAB9A
SCHEMBL3781453 0.78 MAP4K4 (0.50) CD44ALDH1A1CASP1CYP3A4RAB9A
SCHEMBL28072499 0.78 MAP4K4 (0.49) CD44ALDH1A1TDP1CYP3A4RAB9A
SCHEMBL30434443 0.78 MAP4K4 (0.49) CD44ALDH1A1TDP1CYP3A4RAB9A
SCHEMBL31378249 0.78 PTGS2 (0.46) CD44ALDH1A1TDP1CYP3A4TSHR

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 4339/4885TDP1 4196/4885

“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.