SCHEMBL1817849

SCHEMBL1817849

Nc1cccc(Cc2ncco2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.42
MAOA P21397 2/20 0.42
CYP19A1 P11511 2/20 0.41
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
EGFR P00533 1/20 0.38
IGF1R P08069 1/20 0.38
CYP3A4 P08684 2/20 0.37
CYP17A1 P05093 1/20 0.37
PARP1 P09874 1/20 0.36
ADORA2A P29274 4/20 0.36
ADORA1 P30542 4/20 0.36
CASP1 P29466 1/20 0.35
RECQL P46063 1/20 0.35
ENPP1 P22413 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
ADORA3 P0DMS8 1/20 0.33

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
SCHEMBL20773636 0.80 IDO1 (0.40) MAOBMAOAADORA2AADORA1
SCHEMBL20773637 0.80 KDM5B (0.44) CYP11B1CYP11B2CYP3A4
SCHEMBL20773319 0.80 PNMT (0.43) MAOBCYP11B1CYP11B2CYP3A4
SCHEMBL15660842 0.79 CYP3A4 (0.48) MAOBMAOACYP19A1CYP11B1CYP11B2
SCHEMBL527670 0.78 CALM1 (0.44) ADORA2AADORA1
SCHEMBL11559437 0.78 NR3C2 (0.47) MAOBCYP3A4
SCHEMBL19308671 0.78 KIF11 (0.39)
SCHEMBL20773126 0.76 HTR1B (0.49) MAOB
SCHEMBL1815956 0.74 TSHR (0.50) MAOBMAOACYP19A1EGFRIGF1R
Biphenyl SCHEMBL28708802 0.74 RAB9A (0.47) ADORA2AADORA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461134-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-20110172187-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-07-14 US disclosed
WO-2011060196-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 WO 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-20110172187-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD MAOB 301/4885MAOA 2465/4885CYP19A1 2545/4885

“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.