SCHEMBL10000197

SCHEMBL10000197

c1ccc2c(Nc3ccc(Oc4ccc(Nc5c6ccccc6nc6ncccc56)cc4)cc3)c3cccnc3nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 9/20 0.57
KMT2A Q03164 4/20 0.57
RAD52 P43351 3/20 0.57
POLB P06746 2/20 0.57
GFER P55789 1/20 0.57
KDM4E B2RXH2 2/20 0.57
MAPT P10636 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
OPRM1 P35372 1/20 0.57
OPRD1 P41143 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
SLC2A1 P11166 1/20 0.56
ERBB2 P04626 1/20 0.53
RAF1 P04049 1/20 0.53
MAP2K1 Q02750 1/20 0.53
KDR P35968 1/20 0.50
TEK Q02763 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.48
ATM Q13315 1/20 0.46
MEN1 O00255 1/20 0.45

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
SCHEMBL10000193 0.85 KDM1A (0.76) KDM1AKMT2ARAD52POLBGFER
SCHEMBL13889178 0.73 KDM1A (1.00) KDM1AKMT2ARAD52POLBGFER
SCHEMBL27212831 0.72 KMT2A (1.00) KDM1AKMT2ARAD52POLBGFER
SCHEMBL902770 0.71 KDM1A (1.00) KDM1AKMT2ARAD52POLBGFER
SCHEMBL17154443 0.70 KDM1A (0.63) KDM1AKMT2ARAD52POLBGFER
SCHEMBL1387165 0.70 ERBB2 (1.00) RAD52ERBB2RAF1MAP2K1KDR
Hydrochloric Acid SCHEMBL15673452 0.69 KDM1A (0.96) KDM1AKMT2ARAD52POLBGFER
SCHEMBL20856844 0.69 KMT2A (0.68) KDM1AKMT2ARAD52POLBGFER
SCHEMBL27707570 0.69 MAP2K1 (1.00) ERBB2RAF1MAP2K1KDRTEK
SCHEMBL10000194 0.69 ERBB2 (0.94) RAD52ERBB2KDRTEKHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-20120165365-A1 Compositions and Methods for Treating Cancer MKI67, DCX, NES KDM1A 2274/4885KMT2A 1536/4885RAD52 839/4885

“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.