SCHEMBL231732

SCHEMBL231732

COC(=O)c1cc(C(=O)c2ccc(Br)cc2)cc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.51
KMT2A Q03164 10/20 0.51
ALOX5 P09917 1/20 0.51
POLB P06746 4/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 3/20 0.49
RECQL P46063 1/20 0.48
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL8762477 0.88 HTT (0.59) MEN1KMT2AALOX5POLBHTT
SCHEMBL27776291 0.86 ALOX5 (0.56) MEN1KMT2AALOX5POLBHTT
SCHEMBL6161137 0.85 MEN1 (0.62) MEN1KMT2AALOX5POLBSMN1; SMN2
SCHEMBL561284 0.83 HTT (0.64) MEN1KMT2AALOX5POLBHTT
SCHEMBL1025493 0.82 HTT (0.53) MEN1KMT2AALOX5POLBHTT
SCHEMBL29735373 0.82 HTT (0.53) MEN1KMT2AALOX5POLBHTT
SCHEMBL229926 0.81 MEN1 (0.57) MEN1KMT2AALOX5POLBHTT
Methyl 3,5-Dinitrobenzoate SCHEMBL418416 0.80 SMN1; SMN2 (0.60) MEN1KMT2AALOX5POLBHTT
SCHEMBL233571 0.79 MEN1 (0.55) MEN1KMT2APOLBHTTSMN1; SMN2
SCHEMBL4236814 0.79 POLB (0.73) MEN1KMT2AALOX5POLBGAA

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
CN-102341371-A As LTC4Bis-aromatic compounds as synthase inhibitors BIOLIPOX AB (SE) 2012-02-01 CN disclosed
EP-2406220-A1 BIS AROMATIC COMPOUNDS FOR USE AS LTC4 SYNTHASE INHIBITORS Biolipox AB (SE) 2012-01-18 EP disclosed
US-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 US disclosed
WO-2010103279-A1 BIS AROMATIC COMPOUNDS FOR USE AS LCT4 SYNTHASE INHIBITORS BIOLIPOX AB (SE) 2010-09-16 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-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R MEN1 4355/4885KMT2A 4283/4885ALOX5 11/4885

“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.