SCHEMBL2299606

SCHEMBL2299606

O=C(O)C=CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.90
▸ CYP3A4 P08684 2/20 0.90
▸ HSD17B10 Q99714 1/20 0.90
▸ THRB P10828 1/20 0.64
▸ PKM P14618 1/20 0.64
▸ ADRA2A P08913 1/20 0.63
▸ MAOA P21397 1/20 0.63
▸ SLC6A2 P23975 1/20 0.63
▸ HTR2C P28335 1/20 0.63
▸ SLC6A4 P31645 1/20 0.63
▸ HTR2B P41595 1/20 0.63
▸ CYP2C9 P11712 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ RAB9A P51151 5/20 0.58
▸ NPC1 O15118 3/20 0.58
▸ KDM4E B2RXH2 4/20 0.56
▸ LMNA P02545 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ LPAR1 Q92633 1/20 0.56
▸ LPAR2 Q9HBW0 1/20 0.56

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
SCHEMBL2299602 1.00 CYP1A2 (0.90) CYP1A2CYP3A4HSD17B10THRBPKM
SCHEMBL20636936 0.94 CYP1A2 (1.00) CYP1A2CYP3A4HSD17B10THRBPKM
SCHEMBL20636970 0.94 CYP1A2 (1.00) CYP1A2CYP3A4HSD17B10THRBPKM
SCHEMBL4441104 0.83 CYP1A2 (0.67) CYP1A2CYP3A4HSD17B10ADRA2AMAOA
SCHEMBL30856799 0.83 CYP1A2 (0.67) CYP1A2CYP3A4HSD17B10ADRA2AMAOA
SCHEMBL3363253 0.78 KDM4E (0.82) CYP1A2CYP3A4ADRA2AMAOASLC6A2
2-Acetylaminofluorene SCHEMBL21114365 0.78 CYP1A2 (1.00) CYP1A2CYP3A4ADRA2AMAOASLC6A2
2-Acetylaminofluorene SCHEMBL29829339 0.78 CYP1A2 (1.00) CYP1A2CYP3A4ADRA2AMAOASLC6A2
SCHEMBL14728757 0.78 CYP1A2 (0.72) CYP1A2CYP3A4HSD17B10ADRA2AMAOA
2-Acetylaminofluorene SCHEMBL75140 0.78 CYP1A2 (1.00) CYP1A2CYP3A4ADRA2AMAOASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2908843-B1 TREATING CANCER AGENCY SCIENCE TECH & RES (SG) 2019-09-04 — — EP claimed
US-9889180-B2 Method of treating cancer AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-02-13 — — US claimed
US-20150258175-A1 METHOD OF TREATING CANCER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-09-17 — — US claimed
EP-2908843-A1 METHOD OF TREATING CANCER Agency For Science, Technology And Research (SG) 2015-08-26 — — EP claimed
WO-2014077784-A1 METHOD OF TREATING CANCER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-05-22 — — WO claimed
EP-2908843-B1 TREATING CANCER AGENCY SCIENCE TECH & RES (SG) 2019-09-04 — — EP disclosed
US-9889180-B2 Method of treating cancer AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-02-13 — — US disclosed
US-20150258175-A1 METHOD OF TREATING CANCER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-09-17 — — US disclosed
EP-2908843-A1 METHOD OF TREATING CANCER Agency For Science, Technology And Research (SG) 2015-08-26 — — EP disclosed
WO-2014077784-A1 METHOD OF TREATING CANCER AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-05-22 — — WO disclosed
US-8524682-B2 Compositions and methods for inhibiting EZH2 THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-09-03 — — US disclosed
US-20110251216-A1 COMPOSITIONS AND METHODS FOR INHIBITING EZH2 THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-10-13 — — US disclosed
WO-2011103016-A2 COMPOSITIONS AND METHODS FOR INHIBITING EZH2 THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-08-25 — — WO disclosed
US-20100222420-A1 COMPOSITIONS AND METHODS FOR INHIBITING EZH2 THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-09-02 — — US disclosed
US-20090012031-A1 EZH2 Cancer Markers THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-01-08 — — US disclosed
WO-2009006577-A2 COMPOSITIONS AND METHODS FOR INHIBITING EZH2 THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-01-08 — — 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-20110251216-A1 COMPOSITIONS AND METHODS FOR INHIBITING EZH2 EZH2, BMI1, EZH1 CYP1A2 4864/4885CYP3A4 4846/4885HSD17B10 3136/4885

“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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