SCHEMBL3780923

SCHEMBL3780923

O=C(Nc1cccc(NC(=O)c2ccccc2)c1B(O)O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.59
NPC1 O15118 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
POLB P06746 2/20 0.58
MDM4 O15151 1/20 0.58
TP53 P04637 1/20 0.58
HDAC3 O15379 1/20 0.58
MAPK1 P28482 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC2 Q92769 1/20 0.58
HPGD P15428 1/20 0.58
KMT2A Q03164 7/20 0.53
MEN1 O00255 6/20 0.53
PKM P14618 2/20 0.53
KCNK3 O14649 1/20 0.52
KCNK9 Q9NPC2 1/20 0.52

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
SCHEMBL1110180 0.82 MDM4 (0.73) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL3782028 0.81 POLB (0.62) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL3790580 0.80 F10 (0.71) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL3788710 0.80 POLB (0.56) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL3148472 0.79 NPC1 (0.82) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL3790102 0.77 NPC1 (0.68) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL16330055 0.77 POLB (0.72) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL10953014 0.76 HDAC3 (0.71) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL6067716 0.76 HDAC1 (0.66) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL19509669 0.76 HDAC3 (0.66) RAB9ANPC1CYP1A2CYP3A4CYP2D6

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 724/4885CYP1A2 170/4885

“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.