SCHEMBL3971296

SCHEMBL3971296

Cc1cc(C=NN)oc1C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
ALOX12 P18054 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL17988358 0.78 MAPT (0.39) ALDH1A1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL3922893 0.70
SCHEMBL752776 0.70
SCHEMBL17871839 0.69
SCHEMBL9655016 0.67
SCHEMBL9655234 0.65 MAPT (0.33) MEN1KMT2A
SCHEMBL7891832 0.63 ALDH1A1 (0.46) ALDH1A1HTTMEN1POLBKMT2A
SCHEMBL4917815 0.61 CYP2A6 (0.58) MEN1POLBKMT2ASMN1; SMN2
SCHEMBL13947754 0.61
SCHEMBL15307452 0.61

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-9085550-B2 Ligands for estrogen related receptors and methods for synthesis of said ligands CITY OF HOPE (US) 2015-07-21 US disclosed
US-20130131340-A1 LIGANDS FOR ESTROGEN RELATED RECEPTORS AND METHODS FOR SYNTHESIS OF SAID LIGANDS FORMAN BARRY (US) 2013-05-23 US disclosed
US-20090318693-A1 LIGANDS FOR ESTROGEN RELATED RECEPTORS AND METHODS FOR SYNTHESIS OF SAID LIGANDS FORMAN BARRY 2009-12-24 US disclosed
US-7544838-B2 Ligands for estrogen related receptors and methods for synthesis of said ligands CITY OF HOPE (US) 2009-06-09 US disclosed
US-20060189825-A1 Ligands for estrogen related receptors and methods for synthesis of said ligands CITY OF HOPE 2006-08-24 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 (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-20130131340-A1 LIGANDS FOR ESTROGEN RELATED RECEPTORS AND METHODS FOR SYNTHESIS OF SAID LIGANDS ESRRA, ESRRB, ESR2 ALDH1A1 866/4885HTT 4382/4885MEN1 4346/4885
US-20060189825-A1 Ligands for estrogen related receptors and methods for synthesis of said ligands ESRRA, ESRRB, ESR2 ALDH1A1 866/4885HTT 4382/4885MEN1 4346/4885
US-20090318693-A1 LIGANDS FOR ESTROGEN RELATED RECEPTORS AND METHODS FOR SYNTHESIS OF SAID LIGANDS ESRRA, ESRRB, ESR2 ALDH1A1 866/4885HTT 4382/4885MEN1 4346/4885

“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.