SCHEMBL3971730

SCHEMBL3971730

CCc1ccc(C=NN)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
MAPK1 P28482 2/20 0.53
MAPT P10636 6/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 3/20 0.43
KMT2A Q03164 4/20 0.39
LMNA P02545 4/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 2/20 0.39
EGFR P00533 1/20 0.38
ATM Q13315 1/20 0.38
PLK1 P53350 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 2/20 0.34

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
SCHEMBL8125451 0.82 CYP2E1 (0.38) ALDH1A1MAPK1MAPTRAB9ASMN1; SMN2
SCHEMBL14404015 0.80 ALDH1A1 (0.53) ALDH1A1MAPK1MAPTL3MBTL1RAB9A
SCHEMBL12985114 0.80 ALDH1A1 (0.53) ALDH1A1MAPK1MAPTL3MBTL1RAB9A
SCHEMBL12763631 0.80 ALDH1A1 (0.53) ALDH1A1MAPK1MAPTL3MBTL1RAB9A
SCHEMBL4209789 0.72
SCHEMBL158329 0.72
SCHEMBL3977585 0.72
SCHEMBL13514040 0.72
SCHEMBL10585336 0.71 ALDH1A1 (0.44) ALDH1A1MAPK1MAPTL3MBTL1RAB9A
SCHEMBL45854 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102920-B2 Method of effecting de-differentiation of a cell AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-08-11 US disclosed
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
WO-2009136867-A1 METHOD OF EFFECTING DE-DIFFERENTIATION OF A CELL AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2009-11-12 WO 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 866/4885MAPK1 3889/4885MAPT 4297/4885
US-20060189825-A1 Ligands for estrogen related receptors and methods for synthesis of said ligands ESRRA, ESRRB, ESR2 ALDH1A1 866/4885MAPK1 3889/4885MAPT 4297/4885
US-20090318693-A1 LIGANDS FOR ESTROGEN RELATED RECEPTORS AND METHODS FOR SYNTHESIS OF SAID LIGANDS ESRRA, ESRRB, ESR2 ALDH1A1 866/4885MAPK1 3889/4885MAPT 4297/4885

“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.