SCHEMBL13041372

SCHEMBL13041372

CC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])c(C#N)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
HTT P42858 4/20 0.52
ALDH1A1 P00352 3/20 0.52
TP53 P04637 2/20 0.52
MAPK1 P28482 2/20 0.52
MAPT P10636 2/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
KDM4E B2RXH2 1/20 0.52
USP2 O75604 1/20 0.52
TSHR P16473 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 3/20 0.47
POLB P06746 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
FFAR1 O14842 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL4367559 0.86 MEN1 (0.65) MEN1KMT2AHTTALDH1A1TP53
SCHEMBL5345460 0.82 MEN1 (0.61) MEN1KMT2AHTTALDH1A1TP53
SCHEMBL13041371 0.81 ALDH1A1 (0.55) MEN1KMT2AHTTALDH1A1TP53
SCHEMBL14375415 0.80 MEN1 (0.61) MEN1KMT2AHTTALDH1A1TP53
SCHEMBL3737969 0.79 MEN1 (0.73) MEN1KMT2AHTTALDH1A1MAPK1
SCHEMBL13077922 0.79 HSD17B10 (0.53) MEN1KMT2AHTTALDH1A1TP53
SCHEMBL1333357 0.79 KDM4E (0.47) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL1334205 0.79 KDM4E (0.47) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL1028021 0.79 MEN1 (0.47) MEN1KMT2AMAPK1MAPTKDM4E
SCHEMBL11475898 0.78 MERTK (0.48) MEN1KMT2AHTTALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2573079-A2 Benzimidazole quinolinones and uses thereof Novartis Vaccines and Diagnostics, Inc. (US) 2013-03-27 EP disclosed
US-7825132-B2 Inhibition of FGFR3 and treatment of multiple myeloma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-11-02 US disclosed
US-20090281100-A1 Benzimidazole quinolinones and uses thereof BARSANTI PAUL A 2009-11-12 US disclosed
US-20090281100-A1 Benzimidazole quinolinones and uses thereof BARSANTI PAUL A 2009-11-12 US disclosed
US-7470709-B2 Benzimidazole quinolinones and uses thereof NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 US disclosed
US-7470709-B2 Benzimidazole quinolinones and uses thereof NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 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-20090281100-A1 Benzimidazole quinolinones and uses thereof GAA, ALPI, IL4I1 MEN1 2588/4885KMT2A 2211/4885HTT 3023/4885

“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.