SCHEMBL10000193

SCHEMBL10000193

c1ccc2c(Nc3ccc(Oc4ccc(Nc5c6ccccc6nc6ccccc56)cc4)cc3)c3ccccc3nc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 12/20 0.76
KMT2A Q03164 4/20 0.76
POLB P06746 3/20 0.76
RAD52 P43351 3/20 0.76
GFER P55789 1/20 0.76
KDM4E B2RXH2 3/20 0.69
MAPT P10636 3/20 0.69
NPSR1 Q6W5P4 3/20 0.69
L3MBTL1 Q9Y468 2/20 0.69
OPRM1 P35372 1/20 0.69
OPRD1 P41143 1/20 0.69
SLC2A1 P11166 1/20 0.68
RAF1 P04049 1/20 0.59
MAP2K1 Q02750 1/20 0.59
ATM Q13315 1/20 0.59
MEN1 O00255 1/20 0.58
GLA P06280 1/20 0.58
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.58
TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL13889178 0.86 KDM1A (1.00) KDM1AKMT2APOLBRAD52GFER
SCHEMBL10000197 0.85 KDM1A (0.57) KDM1AKMT2APOLBRAD52GFER
SCHEMBL902770 0.85 KDM1A (1.00) KDM1AKMT2APOLBRAD52GFER
Hydrochloric Acid SCHEMBL15673452 0.83 KDM1A (0.96) KDM1AKMT2APOLBRAD52GFER
SCHEMBL27212831 0.82 KMT2A (1.00) KDM1AKMT2APOLBRAD52GFER
SCHEMBL4939506 0.80 KDM1A (0.75) KDM1AKMT2APOLBRAD52GFER
SCHEMBL17154450 0.80 KDM1A (1.00) KDM1AKMT2APOLBRAD52GFER
SCHEMBL15673265 0.80 KDM1A (0.75) KDM1AKMT2APOLBRAD52GFER
SCHEMBL15673371 0.80 KDM1A (0.75) KDM1AKMT2APOLBRAD52GFER
SCHEMBL15673568 0.80 KDM1A (1.00) KDM1AKMT2APOLBRAD52GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975274-B2 Compositions and methods for treating cancer TRUSTEES OF DARTMOUTH COLLEGE (US) 2015-03-10 US disclosed
US-8975274-B2 Compositions and methods for treating cancer TRUSTEES OF DARTMOUTH COLLEGE (US) 2015-03-10 US disclosed
US-20140228392-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER TRUSTEES OF DARTMOUTH COLLEGE 2014-08-14 US disclosed
US-20140228392-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER TRUSTEES OF DARTMOUTH COLLEGE 2014-08-14 US disclosed
US-8530496-B2 Compositions and methods for treating cancer TRUSTEES OF DARTMOUTH COLLEGE (US) 2013-09-10 US disclosed
US-8530496-B2 Compositions and methods for treating cancer TRUSTEES OF DARTMOUTH COLLEGE (US) 2013-09-10 US disclosed
US-8518965-B2 Compositions and methods for treating cancer TRUSTEES OF DARTMOUTH COLLEGE (US) 2013-08-27 US disclosed
US-8518965-B2 Compositions and methods for treating cancer TRUSTEES OF DARTMOUTH COLLEGE (US) 2013-08-27 US disclosed
WO-2013043558-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER TRUSTEES OF DARTMOUTH COLLEGE (US) 2013-03-28 WO disclosed
US-20120165365-A1 Compositions and Methods for Treating Cancer TRUSTEES OF DARTMOUTH COLLEGE (US) 2012-06-28 US disclosed
US-20120165365-A1 Compositions and Methods for Treating Cancer TRUSTEES OF DARTMOUTH COLLEGE (US) 2012-06-28 US disclosed
US-20120022097-A1 Compositions and Methods for Treating Cancer TRUSTEES OF DARTMOUTH COLLEGE (US) 2012-01-26 US disclosed
US-20120022097-A1 Compositions and Methods for Treating Cancer TRUSTEES OF DARTMOUTH COLLEGE (US) 2012-01-26 US disclosed
WO-2011016952-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER TRUSTEES OF DARTMOUTH COLLEGE (US) 2011-02-10 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 (3 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-20120022097-A1 Compositions and Methods for Treating Cancer TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TOP2A KDM1A 2193/4885KMT2A 2194/4885POLB 873/4885
US-20140228392-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TOP2A KDM1A 2193/4885KMT2A 2194/4885POLB 873/4885
US-20120165365-A1 Compositions and Methods for Treating Cancer MKI67, DCX, NES KDM1A 2274/4885KMT2A 1536/4885POLB 2734/4885

“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.