SCHEMBL3232417

SCHEMBL3232417

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 2/20 0.56
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ APP P05067 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MAOB P27338 2/20 0.46
▸ MAOA P21397 1/20 0.46
▸ PTGS2 P35354 2/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ ACHE P22303 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ BCHE P06276 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ NOS1 P29475 1/20 0.44

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
SCHEMBL3232414 1.00 FBP1 (0.56) FBP1MEN1KMT2AALDH1A1TSHR
SCHEMBL6243038 0.91 MEN1 (0.55) FBP1MEN1KMT2AALDH1A1TSHR
SCHEMBL6243035 0.91 MEN1 (0.55) FBP1MEN1KMT2AALDH1A1TSHR
SCHEMBL6954094 0.82 FBP1 (0.61) FBP1MEN1KMT2AALDH1A1APP
SCHEMBL9850705 0.81 FBP1 (0.59) FBP1MEN1KMT2AALDH1A1APP
SCHEMBL3219977 0.81 MEN1 (0.63) FBP1MEN1KMT2AALDH1A1APP
SCHEMBL3219973 0.81 MEN1 (0.63) FBP1MEN1KMT2AALDH1A1APP
SCHEMBL10507269 0.80 GLO1 (0.68) FBP1MEN1KMT2AALDH1A1TSHR
SCHEMBL10511400 0.80 GLO1 (0.68) FBP1MEN1KMT2AALDH1A1TSHR
SCHEMBL6469686 0.79 FBP1 (0.67) FBP1MEN1KMT2AALDH1A1APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56034654-A — — None — — JP disclosed
CN-107089980-B A kind of chirality benzo [a] quinolizine -2- ketone compounds and its asymmetry catalysis synthetic method 合肥工业大学 2019-08-30 — — CN disclosed
EP-2958909-A1 BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES Bayer Pharma Aktiengesellschaft (DE) 2015-12-30 — — EP disclosed
WO-2014128067-A1 BICYCLO 2,3-BENZODIAZEPINES AND SPIROCYCLICALLY SUBSTITUTED 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-08-28 — — WO disclosed
US-8236985-B2 Compounds and uses thereof IMPERIAL INNOVATIONS LTD. (GB) 2012-08-07 — — US disclosed
US-20100063144-A1 COMPOUNDS AND USES THEREOF IMPERIAL INNOVATIONS LTD (GB) 2010-03-11 — — US disclosed
WO-2005011661-A1 PHARMACEUTICAL AGENTS UNIVERSITY COLLEGE LONDON (GB) 2005-02-10 — — WO disclosed
US-4566900-A PRE- AND POSTEMERGENCE HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1986-01-28 — — US disclosed
JP-S5634654-A PREPARATION OF C2N+3 CYCLOALK A -N-EN-1-ONE OGAWA HARU 1981-04-06 — — JP disclosed
US-4087549-A Sulphonic acid containing indenyl derivatives MERCK & CO., INC. (US) 1978-05-02 — — US 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-20100063144-A1 COMPOUNDS AND USES THEREOF HDAC1, HDAC11, HDAC2 FBP1 300/4885MEN1 1240/4885KMT2A 58/4885

“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.

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