SCHEMBL266715

SCHEMBL266715

O=C(Cl)c1cc([N+](=O)[O-])c(NN(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
POLB P06746 1/20 0.60
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
VCAM1 P19320 2/20 0.43
TSHR P16473 1/20 0.41
HCAR3 P49019 2/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
CASP6 P55212 1/20 0.40
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
CDC25B P30305 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL264956 0.89 MEN1 (0.63) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL264276 0.84 MEN1 (0.57) MEN1KMT2APOLBALDH1A1VCAM1
SCHEMBL238958 0.81 MEN1 (0.68) MEN1KMT2APOLBALDH1A1TSHR
SCHEMBL21710428 0.80 KMT2A (0.66) MEN1KMT2APOLBALDH1A1SMN1; SMN2
Water SCHEMBL28099770 0.80 MEN1 (0.66) MEN1KMT2APOLBALDH1A1TSHR
SCHEMBL266107 0.78 KMT2A (0.76) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL267326 0.77 ALDH1A1 (0.52) MEN1KMT2APOLBALDH1A1SMN1; SMN2
Alcohol SCHEMBL28281654 0.77 KMT2A (0.59) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL264500 0.76 MEN1 (0.61) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL265457 0.76 MEN1 (0.61) MEN1KMT2APOLBALDH1A1VCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1655070-B1 OXIDATION CATALYST ASAHI KASEI CHEMICALS CORP (JP) 2015-07-15 EP disclosed
US-8133834-B2 Oxidation catalyst ASAHI KASEI CHEMICALS CORPORATION (JP) 2012-03-13 US disclosed
US-20100069670-A1 Oxidation catalyst ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-03-18 US disclosed
US-20060229471-A1 Oxidation catalyst ASAHI KASEI CHEMICALS CORPORATION (JP) 2006-10-12 US disclosed
EP-1655070-A1 OXIDATION CATALYST Asahi Kasei Chemicals Corporation (JP) 2006-05-10 EP 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 (2 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-20100069670-A1 Oxidation catalyst PPOX, SOD1, HAO2 MEN1 4765/4885KMT2A 1292/4885POLB 549/4885
US-20060229471-A1 Oxidation catalyst PPOX, SOD1, HAO2 MEN1 4765/4885KMT2A 1292/4885POLB 549/4885

“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.