SCHEMBL3514895

SCHEMBL3514895

Cc1nn(CC(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38
EPHX2 P34913 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL25925101 0.87 ALDH1A1 (0.42) L3MBTL1ALDH1A1SMN1; SMN2TP53LMNA
SCHEMBL2067150 0.83 CCNC (0.43) L3MBTL1ALDH1A1HTTSMN1; SMN2TP53
SCHEMBL1559636 0.82 ALDH1A1 (0.43) L3MBTL1ALDH1A1TP53LMNA
SCHEMBL1559248 0.82 MITF (0.51) ALDH1A1GAASMN1; SMN2LMNA
SCHEMBL25925092 0.80 ALDH1A1 (0.37) L3MBTL1ALDH1A1GAASMN1; SMN2TP53
SCHEMBL2066748 0.80 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2TP53LMNA
SCHEMBL18463627 0.80 ALDH1A1 (0.52) L3MBTL1ALDH1A1HTTGAASMN1; SMN2
SCHEMBL21070507 0.78 MCL1 (0.53) L3MBTL1ALDH1A1HTTGAASMN1; SMN2
SCHEMBL16160355 0.77 L3MBTL1 (0.40) L3MBTL1ALDH1A1HTTGAASMN1; SMN2
SCHEMBL20555415 0.76 MAPK1 (0.46) L3MBTL1ALDH1A1HTTSMN1; SMN2TP53

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-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2014-01-02 US disclosed
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 US disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 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 (2 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-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 L3MBTL1 2657/4885ALDH1A1 2405/4885HTT 1605/4885
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 L3MBTL1 2657/4885ALDH1A1 2405/4885HTT 1605/4885

“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.