SCHEMBL229926

SCHEMBL229926

COC(=O)c1cc(C(=O)c2ccc(Nc3ccc(Cl)cc3)cc2)cc([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.57
KMT2A Q03164 8/20 0.57
RECQL P46063 1/20 0.57
MAPT P10636 4/20 0.54
POLB P06746 3/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
CASP3 P42574 1/20 0.46
HTT P42858 1/20 0.46
GAA P10253 1/20 0.46
ALOX5 P09917 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43

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
SCHEMBL233571 0.86 MEN1 (0.55) MEN1KMT2ARECQLMAPTPOLB
SCHEMBL230366 0.86 MAPT (0.51) MEN1KMT2AMAPTPOLBMAPK1
SCHEMBL8762477 0.83 HTT (0.59) MEN1KMT2ARECQLMAPTPOLB
SCHEMBL2722128 0.82 MEN1 (0.73) MEN1KMT2ARECQLMAPTPOLB
SCHEMBL230254 0.82 MAPT (0.49) MEN1KMT2AMAPTPOLBMAPK1
SCHEMBL231732 0.81 MEN1 (0.51) MEN1KMT2ARECQLMAPTPOLB
SCHEMBL27776291 0.80 ALOX5 (0.56) MEN1KMT2ARECQLMAPTPOLB
SCHEMBL233557 0.80 MAPK1 (0.50) MEN1KMT2ARECQLMAPTPOLB
SCHEMBL10246416 0.79 MEN1 (0.65) MEN1KMT2ARECQLMAPTPOLB
SCHEMBL561284 0.78 HTT (0.64) MEN1KMT2ARECQLMAPTPOLB

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 4283/4885RECQL 1021/4885

“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.