SCHEMBL3786940

SCHEMBL3786940

O=C(Nc1ccccc1)c1cc(B(O)O)cc(C(=O)Nc2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.59
HDAC2 Q92769 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
HDAC1 Q13547 1/20 0.57
PTPN1 P18031 3/20 0.55
KCNK3 O14649 1/20 0.55
KCNK9 Q9NPC2 1/20 0.55
SIRT1 Q96EB6 2/20 0.53
ALOX5 P09917 1/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HTT P42858 1/20 0.51
HPGD P15428 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50

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
SCHEMBL2911616 0.87 HDAC2 (0.71) HDAC2HDAC8HDAC6HDAC1PTPN1
SCHEMBL1933481 0.86 HDAC1 (0.63) TRPV1HDAC2HDAC8HDAC6HDAC1
SCHEMBL25160333 0.85 F2 (0.49) TRPV1PTPN1NPC1RAB9AHTT
SCHEMBL29951893 0.84 ALOX5 (0.76) ALOX5NPC1RAB9AMEN1KMT2A
SCHEMBL387376 0.84 TRPV1 (0.81) TRPV1HDAC2HDAC8HDAC6HDAC1
SCHEMBL3783926 0.82 KCNK3 (0.65) TRPV1PTPN1KCNK3KCNK9SIRT1
SCHEMBL177468 0.80 TRPV1 (0.81) TRPV1PTPN1SIRT1NPC1RAB9A
SCHEMBL3789938 0.79 KCNK3 (0.71) TRPV1KCNK3KCNK9SIRT1NPC1
SCHEMBL14715899 0.79 PTPN1 (0.77) HDAC2HDAC8HDAC6HDAC1PTPN1
SCHEMBL8374911 0.79 HDAC1 (0.85) HDAC2HDAC8HDAC6HDAC1PTPN1

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 TRPV1 1353/4885HDAC2 549/4885HDAC8 1421/4885

“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.