SCHEMBL2912971

SCHEMBL2912971

Cc1nc2cc([N+](=O)[O-])cc(CC(=O)O)c2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
AMY1A P0DUB6 1/20 0.43
RAB9A P51151 1/20 0.39
F7 P08709 1/20 0.37
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2921101 0.85 HTT (0.39) RAB9APOLBHTTMEN1KMT2A
SCHEMBL2919368 0.79 MAPT (0.42) CYP1A2RAB9APOLBHTTMEN1
SCHEMBL7029119 0.78 MEN1 (0.43) CYP1A2RAB9APOLBHTTMEN1
SCHEMBL2916877 0.77 CYP1A2 (0.44) CYP1A2AMY1AMEN1KMT2A
SCHEMBL28017843 0.72 CYP1A2 (0.51) CYP1A2POLBHTTMEN1KMT2A
SCHEMBL29098567 0.70 CYP1A2 (0.54) CYP1A2AMY1ARAB9APOLBHTT
SCHEMBL5746519 0.70 CYP1A2 (0.49) CYP1A2POLBHTTMEN1KMT2A
SCHEMBL502270 0.69 CYP1A2 (0.64) CYP1A2POLBHTTMEN1KMT2A
SCHEMBL9599309 0.69 CYP1A2 (0.51) CYP1A2POLBHTTMEN1KMT2A
SCHEMBL508751 0.68 HTT (0.55) CYP1A2POLBHTTMEN1KMT2A

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-20100311965-A1 2-AMINOQUINAZOLINE DERIVATIVE CARNA BIOSCIENCES INC. (JP) 2010-12-09 US disclosed
EP-2226315-A1 2-AMINOQUINAZOLINE DERIVATIVE Carna Biosciences Inc. (JP) 2010-09-08 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-20100311965-A1 2-AMINOQUINAZOLINE DERIVATIVE DSTYK, ABL1, EEF2K CYP1A2 2726/4885AMY1A 4308/4885RAB9A 1494/4885

“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.