SCHEMBL3790097

SCHEMBL3790097

O=C(Nc1cc(Cl)cc(NC(=O)c2ccccc2)c1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.74
NPC1 O15118 5/20 0.74
KCNK3 O14649 4/20 0.70
KCNK9 Q9NPC2 4/20 0.70
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
SIRT1 Q96EB6 1/20 0.61
MAPT P10636 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
PTPN1 P18031 1/20 0.58
SMO Q99835 1/20 0.57
TP53 P04637 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL6667710 0.96 RAB9A (0.74) RAB9ANPC1KCNK3KCNK9MEN1
SCHEMBL22305399 0.90 KCNK3 (0.83) RAB9ANPC1KCNK3KCNK9MEN1
SCHEMBL3794687 0.85 NPC1 (1.00) RAB9ANPC1KCNK3KCNK9MEN1
SCHEMBL5668018 0.84 P2RX1 (0.80) RAB9ANPC1KCNK3MAPT
Iodide SCHEMBL30758613 0.84 NPC1 (0.97) RAB9ANPC1KCNK3KCNK9MEN1
SCHEMBL29984679 0.83 NPC1 (0.72) RAB9ANPC1KCNK3KCNK9MEN1
SCHEMBL197003 0.82 MEN1 (0.73) RAB9ANPC1MEN1KMT2ASIRT1
SCHEMBL25358559 0.82 NPC1 (0.66) RAB9ANPC1KCNK3KCNK9MEN1
SCHEMBL2298254 0.82 KCNK3 (1.00) RAB9ANPC1KCNK3KCNK9MEN1
SCHEMBL4341392 0.81 NPC1 (0.70) RAB9ANPC1KCNK3KCNK9MEN1

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 RAB9A 1357/4885NPC1 724/4885KCNK3 2193/4885

“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.