SCHEMBL3780669

SCHEMBL3780669

O=C(Nc1ccccc1)c1ccc(C(=O)Nc2ccccc2)c(B(O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.53
KMT2A Q03164 3/20 0.52
POLB P06746 2/20 0.52
HDAC2 Q92769 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC1 Q13547 1/20 0.51
PLAU P00749 2/20 0.51
RORA P35398 1/20 0.51
RORC P51449 1/20 0.51
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
TRPV1 Q8NER1 1/20 0.50
MEN1 O00255 2/20 0.49
PKM P14618 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL3792796 0.89 PTPN1 (0.54) PTPN1KMT2APOLBHDAC2HDAC8
SCHEMBL20605126 0.83 KMT2A (0.55) PTPN1KMT2APOLBHDAC2HDAC8
SCHEMBL29951164 0.83 KMT2A (0.55) PTPN1KMT2APOLBHDAC2HDAC8
SCHEMBL3784749 0.82 HPGD (0.62) KMT2APOLBNPC1RAB9ASMN1; SMN2
SCHEMBL21903837 0.80 KMT2A (0.55) PTPN1KMT2APOLBHDAC2HDAC8
SCHEMBL3786373 0.78 SMO (0.64) PTPN1KMT2APOLBHDAC2HDAC8
SCHEMBL1315526 0.75 PTPN1 (0.87) PTPN1KMT2APOLBHDAC2HDAC8
SCHEMBL387376 0.75 TRPV1 (0.81) PTPN1KMT2APOLBHDAC2HDAC8
SCHEMBL1933481 0.74 HDAC1 (0.63) PTPN1KMT2APOLBHDAC2HDAC8
SCHEMBL3789815 0.74 PPARG (0.74) KMT2AHDAC8RORCSMN1; SMN2MEN1

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 PTPN1 3179/4885KMT2A 1474/4885POLB 2303/4885

“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.