SCHEMBL7813612

SCHEMBL7813612

O=C(O)C(=Cc1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 3/20 0.66
AKR1C3 P42330 3/20 0.59
CYP1B1 Q16678 1/20 0.59
CES1 P23141 2/20 0.57
CES2 O00748 1/20 0.57
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
POLB P06746 4/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
RAB9A P51151 2/20 0.52
RECQL P46063 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
AKR1C2 P52895 2/20 0.51
BCHE P06276 1/20 0.51
MAOB P27338 1/20 0.51
HSP90AA1 P07900 1/20 0.51
OPRK1 P41145 1/20 0.51

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
SCHEMBL15777306 1.00 AKR1C1 (0.66) AKR1C1AKR1C3CYP1B1CES1CES2
SCHEMBL7813609 1.00 AKR1C1 (0.66) AKR1C1AKR1C3CYP1B1CES1CES2
SCHEMBL11218795 0.94 AKR1C1 (0.66) AKR1C1AKR1C3CYP1B1CES1CES2
SCHEMBL11220467 0.94 AKR1C1 (0.66) AKR1C1AKR1C3CYP1B1CES1CES2
SCHEMBL11220464 0.94 AKR1C1 (0.66) AKR1C1AKR1C3CYP1B1CES1CES2
SCHEMBL19436974 0.84 AKR1C3 (0.65) AKR1C1AKR1C3CYP1B1MEN1KMT2A
SCHEMBL19436972 0.84 AKR1C3 (0.65) AKR1C1AKR1C3CYP1B1MEN1KMT2A
SCHEMBL7240015 0.84 CYP1B1 (0.52) AKR1C3CYP1B1CES1CES2MEN1
SCHEMBL28896121 0.84 CYP1B1 (0.52) AKR1C3CYP1B1CES1CES2MEN1
SCHEMBL7828363 0.83 MAPT (0.62) AKR1C1CES1CES2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2928457-B1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASES KDM1A ST EUROPEO DI ONCOLOGIA S R L (IT) 2020-08-12 EP disclosed
CN-105283177-B Cyclopropylamine derivatives useful as inhibitors of histone demethylase KDM1A 欧洲肿瘤研究所有限责任公司 2020-07-24 CN disclosed
US-9944589-B2 Cycloproplyamine derivatives useful as inhibitors of histone demethylases KDM1A ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2018-04-17 US disclosed
US-20150315126-A1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASES KDM1A ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2015-11-05 US disclosed
EP-2928457-A1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASES KDM1A Istituto Europeo di Oncologia S.r.l. (IT) 2015-10-14 EP disclosed
WO-2014086790-A1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASES KDM1A ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2014-06-12 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 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-20150315126-A1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASES KDM1A KDM1A, KDM1B, KDM2A AKR1C1 1421/4885AKR1C3 2177/4885CYP1B1 658/4885

“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.