SCHEMBL265592

SCHEMBL265592

O=c1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 1.00
KMT2A Q03164 5/20 1.00
POLB P06746 1/20 1.00
PLEC Q15149 1/20 1.00
TSHR P16473 1/20 0.65
MAPT P10636 4/20 0.52
LMNA P02545 3/20 0.52
RAB9A P51151 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.52
NPC1 O15118 1/20 0.52
GAA P10253 2/20 0.50
ALDH1A1 P00352 1/20 0.50
THRB P10828 1/20 0.50
HPGD P15428 1/20 0.50
BLM P54132 1/20 0.50
PPP1CA P62136 1/20 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
SCHEMBL31384289 0.79 TSHR (1.00) MEN1KMT2APOLBPLECTSHR
SCHEMBL265111 0.79 TSHR (1.00) MEN1KMT2APOLBPLECTSHR
SCHEMBL30471655 0.77 TSHR (0.73) MEN1KMT2APOLBPLECTSHR
SCHEMBL4066743 0.77 TSHR (0.73) MEN1KMT2APOLBPLECTSHR
SCHEMBL30540389 0.77 TSHR (0.73) MEN1KMT2APOLBPLECTSHR
SCHEMBL28666827 0.77 TSHR (0.73) MEN1KMT2APOLBPLECTSHR
SCHEMBL20945141 0.77 TSHR (0.73) MEN1KMT2APOLBPLECTSHR
SCHEMBL4055408 0.76 MEN1 (0.60) MEN1KMT2APOLBPLECTSHR
SCHEMBL4064440 0.76 MEN1 (0.60) MEN1KMT2APOLBPLECTSHR
SCHEMBL2547220 0.75 MEN1 (0.59) MEN1KMT2APOLBPLECTSHR

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.