SCHEMBL1225549

SCHEMBL1225549

Cc1cc(-c2ccc([N+](=O)[O-])cc2)c2ccccc2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.62
POLB P06746 2/20 0.62
ALDH1A1 P00352 8/20 0.61
MAPT P10636 6/20 0.61
MEN1 O00255 5/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
HTT P42858 3/20 0.53
RXFP1 Q9HBX9 3/20 0.53
KDM4E B2RXH2 1/20 0.53
LTB4R Q15722 1/20 0.53
TNKS O95271 1/20 0.52
GUSB P08236 1/20 0.52
NLRP3 Q96P20 1/20 0.52
TNKS2 Q9H2K2 1/20 0.52
PARP2 Q9UGN5 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ELANE P08246 1/20 0.51
NPC1 O15118 2/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 2/20 0.50

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
SCHEMBL10983501 0.86 ALDH1A1 (0.64) KMT2APOLBALDH1A1MAPTMEN1
SCHEMBL18731749 0.81 CYP1A2 (0.58) POLBALDH1A1MAPTKDM4ETDP1
SCHEMBL1104820 0.81 CYP1A2 (0.62) POLBALDH1A1MAPTKDM4ETDP1
SCHEMBL28317085 0.80 CYP1A2 (0.56) KMT2APOLBALDH1A1MAPTMEN1
Iodide SCHEMBL30847747 0.80 CYP1A2 (0.60) POLBALDH1A1MAPTKDM4ETDP1
SCHEMBL7468007 0.78 KMT2A (0.60) KMT2APOLBALDH1A1MAPTMEN1
SCHEMBL17932284 0.77 CYP1A2 (0.53) KMT2APOLBALDH1A1MAPTMEN1
SCHEMBL7610953 0.77 GRM2 (0.58) KMT2APOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL28129147 0.77 CYP1A2 (0.53) KMT2APOLBALDH1A1MAPTMEN1
SCHEMBL4816206 0.77 KMT2A (1.00) KMT2APOLBMAPTMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459737-B1 NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES BIOMERIEUX SA (FR) 2014-10-29 EP claimed
US-8592175-B2 Nitroreductase enzymatic substrates bioMérieux, S.A. (FR) 2013-11-26 US claimed
EP-2459737-A2 NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES Biomérieux (FR) 2012-06-06 EP claimed
US-20120129204-A1 NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES bioMerieux, SA (FR) 2012-05-24 US claimed
WO-2011012824-A2 NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES bioMérieux (FR) 2011-02-03 WO claimed
EP-2459737-B1 NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES BIOMERIEUX SA (FR) 2014-10-29 EP disclosed
US-8592175-B2 Nitroreductase enzymatic substrates bioMérieux, S.A. (FR) 2013-11-26 US disclosed
EP-2459737-A2 NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES Biomérieux (FR) 2012-06-06 EP disclosed
US-20120129204-A1 NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES bioMerieux, SA (FR) 2012-05-24 US disclosed
WO-2011012824-A2 NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES bioMérieux (FR) 2011-02-03 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-20120129204-A1 NOVEL NITROREDUCTASE ENZYMATIC SUBSTRATES CBR1, CBR3, POR KMT2A 3575/4885POLB 2150/4885ALDH1A1 468/4885

“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.