SCHEMBL266009

SCHEMBL266009

Cc1ccc(CC(c2ccccc2)[N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PSMB5 P28074 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.38
CPA1 P15085 3/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CNR2 P34972 1/20 0.38
PSMB8 P28062 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ACHE P22303 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CNR1 P21554 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL10474946 0.88 CPA1 (0.47) CPA1ALDH1A1
SCHEMBL27653040 0.83 LOXL2 (0.46) CPA1CA2ALDH1A1
SCHEMBL3165863 0.80 TSHR (0.44) KMT2ASMN1; SMN2CPA1ALDH1A1LMNA
SCHEMBL266714 0.74 LMNA (0.43) MEN1KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL10489055 0.74 SLC6A2 (0.55) MEN1KMT2APSMB5SMN1; SMN2PKM
SCHEMBL16239076 0.73 LDHA (0.40) MEN1KMT2AALDH1A1MAPT
SCHEMBL10653829 0.73 ACHE (0.43) MEN1KMT2ACNR2ALDH1A1ACHE
SCHEMBL6975003 0.73 SMN1; SMN2 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9337987 0.73 ACHE (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1ACHE
SCHEMBL4973916 0.72 SLC6A2 (0.53) MEN1KMT2APSMB5SMN1; SMN2PKM

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 1292/4885PSMB5 551/4885
US-20060229471-A1 Oxidation catalyst PPOX, SOD1, HAO2 MEN1 4765/4885KMT2A 1292/4885PSMB5 551/4885

“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.