SCHEMBL3784086

SCHEMBL3784086

COc1ccc(C(=O)Nc2cc(NC(=O)c3ccc(OC)cc3)cc(B(O)O)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.69
RAB9A P51151 11/20 0.69
SMN1; SMN2 Q16637 6/20 0.69
TP53 P04637 6/20 0.69
ALDH1A1 P00352 4/20 0.69
KMT2A Q03164 3/20 0.69
CYP1A2 P05177 2/20 0.69
MEN1 O00255 2/20 0.69
GAA P10253 2/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
ALOX15 P16050 1/20 0.66
KCNK9 Q9NPC2 1/20 0.62
PKM P14618 1/20 0.60
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
KCNK3 O14649 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
SCHEMBL3786011 0.88 NPC1 (0.74) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL3787839 0.86 RAB9A (0.78) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL15649490 0.85 RAB9A (0.60) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL16675159 0.83 NPC1 (0.83) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL4248077 0.82 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL3785578 0.82 SMN1; SMN2 (0.60) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL3787033 0.81 NPC1 (0.73) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL6799157 0.80 RAB9A (1.00) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL10084942 0.80 NPC1 (0.65) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL16675165 0.80 NPC1 (0.83) NPC1RAB9ASMN1; SMN2TP53ALDH1A1

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 1357/4885SMN1; SMN2 4524/4885

“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.