SCHEMBL3790102

SCHEMBL3790102

O=C(Nc1cccc(NC(=O)c2ccccc2)c1Cl)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.68
RAB9A P51151 5/20 0.68
MEN1 O00255 5/20 0.68
KMT2A Q03164 5/20 0.68
MAPT P10636 4/20 0.68
HPGD P15428 2/20 0.68
LMNA P02545 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
TP53 P04637 2/20 0.61
MDM4 O15151 1/20 0.61
HDAC3 O15379 1/20 0.61
MAPK1 P28482 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC2 Q92769 1/20 0.61
POLB P06746 1/20 0.61

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
SCHEMBL9621459 0.91 MEN1 (0.82) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL7305489 0.88 HPGD (0.72) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL4094232 0.88 HDAC1 (0.72) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL29604506 0.88 TP53 (0.72) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL24389088 0.88 TP53 (0.72) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL28773298 0.86 MEN1 (0.57) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL1110180 0.85 MDM4 (0.73) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL13602430 0.85 MAPT (0.56) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL14492571 0.85 KCNK3 (0.63) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL8277234 0.85 NPC1 (0.56) NPC1RAB9AMEN1KMT2AMAPT

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 NPC1 724/4885RAB9A 1357/4885MEN1 174/4885

“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.