SCHEMBL110417

SCHEMBL110417

COC(=O)c1cc(Br)nc(-c2ccc([N+](=O)[O-])cc2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MAPT P10636 11/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
GAA P10253 2/20 0.45
HTT P42858 2/20 0.45
SLC6A3 Q01959 2/20 0.44
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL110648 0.87 CA12 (0.47) CA12CA1CA2CA9MAPT
SCHEMBL15800330 0.81 CA12 (0.41) CA12CA1CA2CA9MAPT
SCHEMBL1761339 0.72 MAPT (0.52) MAPTSMN1; SMN2KMT2AMEN1GAA
SCHEMBL2181370 0.72 MAPT (0.52) CA12CA1CA2CA9MAPT
SCHEMBL4026354 0.72 CA12 (0.49) CA12CA1CA2CA9MAPT
SCHEMBL109071 0.72 CA12 (0.42) CA12CA1CA2CA9MAPT
SCHEMBL1335440 0.72 ALDH1A1 (0.44) MAPTSMN1; SMN2KMT2AMEN1GAA
SCHEMBL5203594 0.71 L3MBTL1 (0.43) CA12CA1CA2CA9MAPT
SCHEMBL21044388 0.71 SLC6A3 (0.51) MAPTSMN1; SMN2KMT2AMEN1GAA
SCHEMBL9069965 0.70 KDM4E (0.44) CA12CA1CA2CA9MAPT

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-8815840-B2 Carbazole and carboline kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 US disclosed
US-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 US 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-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS JAK2, JAK1, JAK3 CA12 3204/4885CA1 2930/4885CA2 1140/4885

“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.