SCHEMBL10000194

SCHEMBL10000194

c1ccc2c(Nc3ccc(Oc4ccc(Nc5ccnc6ccccc56)cc4)cc3)ccnc2c1

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.94
HTT P42858 1/20 0.76
DNMT1 P26358 4/20 0.59
DNMT3A Q9Y6K1 3/20 0.59
HDAC3 O15379 1/20 0.59
ACHE P22303 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
DNMT3L Q9UJW3 1/20 0.59
HRH3 Q9Y5N1 1/20 0.58
FADS1 O60427 1/20 0.56
EGFR P00533 1/20 0.56
KDR P35968 1/20 0.56
TEK Q02763 1/20 0.56
GAK O14976 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
SCHEMBL1387165 0.97 ERBB2 (1.00) ERBB2HTTDNMT1DNMT3AHDAC3
Hydrochloric Acid SCHEMBL8812168 0.95 ERBB2 (0.97) ERBB2HTTDNMT1DNMT3AHDAC3
SCHEMBL31197383 0.88 HTT (0.97) ERBB2HTTDNMT1DNMT3AHDAC3
SCHEMBL15923145 0.88 HTT (0.97) ERBB2HTTDNMT1DNMT3AHDAC3
SCHEMBL170830 0.84 ERBB2 (0.73) ERBB2HTTDNMT1DNMT3AHDAC3
SCHEMBL30420824 0.84 ERBB2 (0.73) ERBB2HTTDNMT1DNMT3AHDAC3
SCHEMBL8933763 0.84 ERBB2 (0.77) ERBB2HTTDNMT1DNMT3AHDAC3
SCHEMBL15607580 0.83 ERBB2 (0.73) ERBB2HTTDNMT1DNMT3AHDAC3
SCHEMBL31197391 0.83 HTT (0.69) ERBB2HTTDNMT1DNMT3AHDAC3
SCHEMBL15923241 0.83 HTT (0.69) ERBB2HTTDNMT1DNMT3AHDAC3

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 5 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
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 (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 ERBB2 305/4885HTT 832/4885DNMT1 191/4885

“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.