SCHEMBL13041550

SCHEMBL13041550

CCN1CCC(c2ccc(NC(C)=O)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
MAPK1 P28482 3/20 0.48
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TP53 P04637 1/20 0.47
ALDH1A1 P00352 4/20 0.47
RECQL P46063 1/20 0.47
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CCR5 P51681 3/20 0.42
LMNA P02545 2/20 0.42
PKM P14618 2/20 0.42
POLB P06746 2/20 0.42
RAB9A P51151 1/20 0.42
GALR2 O43603 1/20 0.40
MITF O75030 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40
CCR6 P51684 1/20 0.40

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
SCHEMBL3743608 0.87 MAPT (0.51) KMT2AMAPK1MAPTNPSR1ALDH1A1
SCHEMBL15156418 0.84 MAPT (0.56) KMT2AMAPK1MAPTNPSR1ALDH1A1
SCHEMBL2654588 0.83 MAPT (0.54) KMT2AMAPTNPSR1ALDH1A1HTT
SCHEMBL13041548 0.78 TSHR (0.44) KMT2AMAPTALDH1A1CCR5LMNA
SCHEMBL9108558 0.78 MAPT (0.54) KMT2AMAPK1MAPTNPSR1ALDH1A1
SCHEMBL2946817 0.77 HPGD (0.45) KMT2AMAPTTP53ALDH1A1HTT
SCHEMBL13041545 0.75 SLC18A3 (0.61) MAPTALDH1A1RECQLKDM4ECCR5
SCHEMBL29119480 0.75 TP53 (0.55) KMT2AMAPTNPSR1TP53ALDH1A1
SCHEMBL20836804 0.74 KMT2A (0.43) KMT2AMAPK1MAPTNPSR1ALDH1A1
SCHEMBL28614009 0.73 KMT2A (0.47) KMT2AMAPK1MAPTNPSR1TP53

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 4 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-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 KMT2A 2211/4885MAPK1 3627/4885MAPT 575/4885

“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.