SCHEMBL252628

SCHEMBL252628

COc1cc2c(cc1OC)C(C(=O)Nc1cccc(C(F)(F)F)c1)C(c1cccnc1)N(C)C2=O

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.79
CYP2C9 P11712 6/20 0.77
KMT2A Q03164 5/20 0.77
MEN1 O00255 4/20 0.77
SMN1; SMN2 Q16637 1/20 0.73
GAA P10253 3/20 0.69
CYP1A2 P05177 2/20 0.68
CYP2C19 P33261 2/20 0.68
ALOX15 P16050 2/20 0.68
NPSR1 Q6W5P4 1/20 0.55
TSHR P16473 3/20 0.52
HSD17B10 Q99714 1/20 0.48
MAPK1 P28482 1/20 0.46
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL2335153 0.76 GAA (0.79) CYP3A4CYP2C9KMT2AMEN1SMN1; SMN2
SCHEMBL6413435 0.75 GAA (0.52) CYP3A4CYP2C9KMT2AMEN1SMN1; SMN2
SCHEMBL2332683 0.75 CYP3A4 (0.76) CYP3A4CYP2C9KMT2AMEN1SMN1; SMN2
SCHEMBL6413117 0.73 CYP2C9 (0.51) CYP3A4CYP2C9KMT2AMEN1SMN1; SMN2
SCHEMBL2337751 0.73 GAA (0.74) CYP3A4CYP2C9KMT2AMEN1SMN1; SMN2
SCHEMBL2340254 0.72 CYP3A4 (0.69) CYP3A4CYP2C9KMT2AMEN1SMN1; SMN2
SCHEMBL2334861 0.70 CYP3A4 (0.68) CYP3A4CYP2C9KMT2AMEN1SMN1; SMN2
SCHEMBL6410201 0.69 GAA (0.52) CYP3A4CYP2C9KMT2AMEN1SMN1; SMN2
SCHEMBL6411956 0.68 KMT2A (0.69) CYP3A4CYP2C9KMT2AMEN1SMN1; SMN2
SCHEMBL2339213 0.68 CYP3A4 (0.64) CYP3A4CYP2C9KMT2AMEN1SMN1; SMN2

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-20130171158-A1 TREATMENT OF ABNORMALITIES OF GLUCOSE METABOLISM WITH AN ANTAGONIST OF INHIBITOR OF DIFFERENTIATION 1 GARVAN INSTITUTE OF MEDICAL RESEARCH (AU) 2013-07-04 US claimed
WO-2012000036-A1 TREATMENT OF ABNORMALITIES OF GLUCOSE METABOLISM WITH AN ANTAGONIST OF INHIBITOR OF DIFFERENTIATION 1 GARVAN INSTITUTE OF MEDICAL RESEARCH (AU) 2012-01-05 WO claimed
US-20130171158-A1 TREATMENT OF ABNORMALITIES OF GLUCOSE METABOLISM WITH AN ANTAGONIST OF INHIBITOR OF DIFFERENTIATION 1 GARVAN INSTITUTE OF MEDICAL RESEARCH (AU) 2013-07-04 US disclosed
WO-2012000036-A1 TREATMENT OF ABNORMALITIES OF GLUCOSE METABOLISM WITH AN ANTAGONIST OF INHIBITOR OF DIFFERENTIATION 1 GARVAN INSTITUTE OF MEDICAL RESEARCH (AU) 2012-01-05 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-20130171158-A1 TREATMENT OF ABNORMALITIES OF GLUCOSE METABOLISM WITH AN ANTAGONIST OF INHIBITOR OF DIFFERENTIATION 1 FBP1, G6PC1, G6PD CYP3A4 1707/4885CYP2C9 4300/4885KMT2A 2367/4885

“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.