SCHEMBL2304091

SCHEMBL2304091

O=C(c1ccc(CSc2ccc(Cl)cc2)o1)N1CCOCC1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.70
FKBP1A P62942 1/20 0.57
LMNA P02545 6/20 0.54
KMT2A Q03164 5/20 0.54
MAPT P10636 3/20 0.54
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 3/20 0.54
RAB9A P51151 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
PHGDH O43175 1/20 0.51
HPGD P15428 2/20 0.51
NPC1 O15118 1/20 0.51
HTT P42858 1/20 0.51
POLB P06746 1/20 0.50
TSHR P16473 1/20 0.50
HSD11B1 P28845 1/20 0.49
AKR1C3 P42330 1/20 0.48

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
SCHEMBL3455455 0.82 SMN1; SMN2 (1.00) SMN1; SMN2FKBP1ALMNAKMT2AMAPT
SCHEMBL3682263 0.71 MAPT (0.49) SMN1; SMN2LMNAKMT2AMAPTALDH1A1
SCHEMBL3455919 0.70 ALDH1A1 (1.00) SMN1; SMN2LMNAKMT2AMAPTALDH1A1
SCHEMBL3454766 0.69 ALDH1A1 (0.97) SMN1; SMN2LMNAKMT2AMAPTALDH1A1
(4-Chlorophenyl)(Morpholino)Methanone SCHEMBL6937394 0.69 PHGDH (1.00) SMN1; SMN2KMT2AMAPTALDH1A1PHGDH
SCHEMBL24352145 0.68 KMT2A (0.72) FKBP1AKMT2AMAPTALDH1A1MEN1
SCHEMBL9970748 0.68 ALDH1A1 (0.47) SMN1; SMN2LMNAKMT2AMAPTALDH1A1
SCHEMBL25062644 0.68 ALDH1A1 (0.60) SMN1; SMN2LMNAKMT2AALDH1A1MEN1
SCHEMBL25062484 0.67 ALDH1A1 (0.59) SMN1; SMN2LMNAKMT2AALDH1A1MEN1
SCHEMBL5320608 0.67 ALDH1A1 (0.59) SMN1; SMN2LMNAKMT2AALDH1A1MEN1

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 13 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
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

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 SMN1; SMN2 2963/4885FKBP1A 1325/4885LMNA 2236/4885

“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.