SCHEMBL3787612

SCHEMBL3787612

CCCCc1cc(N)cc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
TP53 P04637 1/20 0.46
SKP2 Q13309 1/20 0.43
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PTGS2 P35354 3/20 0.39
CNR2 P34972 1/20 0.37
GPR84 Q9NQS5 3/20 0.35
CA2 P00918 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
HTR2A P28223 1/20 0.34
NOS2 P35228 1/20 0.34
KCNH2 Q12809 2/20 0.34

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
SCHEMBL3790998 0.88 CYP3A4 (0.50) CYP3A4TP53NPC1RAB9ACNR2
SCHEMBL320700 0.85 NPC1 (0.50) CYP3A4SKP2NPC1HPGDMAPK1
SCHEMBL11616670 0.85 HPGD (0.50) CYP3A4SKP2NPC1HPGDMAPK1
SCHEMBL10492558 0.85 HPGD (0.50) CYP3A4SKP2NPC1HPGDMAPK1
SCHEMBL3787621 0.79 CYP3A4 (0.55) CYP3A4TP53PTGS2CNR2SMN1; SMN2
SCHEMBL7895255 0.79 PTGS2 (0.56) CYP3A4TP53SKP2NPC1HPGD
SCHEMBL14402466 0.79 PTGS2 (0.56) CYP3A4TP53NPC1HPGDMAPK1
SCHEMBL28579097 0.79 PTGS2 (0.56) CYP3A4TP53SKP2NPC1HPGD
SCHEMBL16953618 0.78 HPGD (0.48) CYP3A4SKP2NPC1HPGDMAPK1
SCHEMBL9118087 0.77 PTGS2 (0.57) CYP3A4TP53HPGDRAB9APTGS2

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 2819/4885SKP2 2544/4885

“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.