SCHEMBL823129

SCHEMBL823129

COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cc(C)ccc4O)cc3n2)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.71
THRB P10828 4/20 0.71
RXFP1 Q9HBX9 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
KDM4E B2RXH2 3/20 0.70
HPGD P15428 3/20 0.70
ALDH1A1 P00352 1/20 0.70
HSD17B10 Q99714 1/20 0.70
TSHR P16473 1/20 0.67
MAPK1 P28482 1/20 0.67
CASP1 P29466 1/20 0.67
FUBP1 Q96AE4 1/20 0.62
POLB P06746 1/20 0.60
TP53 P04637 4/20 0.58

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
SCHEMBL1718569 0.92 MAPT (0.72) MAPTTHRBRXFP1SMN1; SMN2KDM4E
SCHEMBL1720013 0.92 MAPT (0.76) MAPTTHRBRXFP1SMN1; SMN2KDM4E
SCHEMBL1719103 0.90 TP53 (0.70) MAPTTHRBRXFP1SMN1; SMN2KDM4E
SCHEMBL1718822 0.86 MAPT (0.66) MAPTTHRBRXFP1SMN1; SMN2KDM4E
SCHEMBL1718901 0.86 MAPT (0.75) MAPTTHRBRXFP1SMN1; SMN2KDM4E
SCHEMBL823135 0.85 MAPT (0.78) MAPTTHRBRXFP1SMN1; SMN2KDM4E
SCHEMBL822398 0.85 MAPT (0.61) MAPTTHRBRXFP1SMN1; SMN2KDM4E
SCHEMBL1718910 0.85 THRB (0.79) MAPTTHRBRXFP1SMN1; SMN2KDM4E
SCHEMBL1719697 0.84 THRB (0.77) MAPTTHRBRXFP1SMN1; SMN2KDM4E
SCHEMBL1718145 0.83 MAPT (0.77) MAPTTHRBRXFP1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9198891-B2 Method of treating cancer by inhibition of protein kinase-like endoplasmic reticulum protein kinase NEW YORK UNIVERSITY (US) 2015-12-01 US disclosed
US-20110288083-A1 METHOD OF TREATING CANCER BY INHIBITION OF PROTEIN KINASE-LIKE ENDOPLASMIC RETICULUM PROTEIN KINASE NEW YORK UNIVERSITY (US) 2011-11-24 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 (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-20110288083-A1 METHOD OF TREATING CANCER BY INHIBITION OF PROTEIN KINASE-LIKE ENDOPLASMIC RETICULUM PROTEIN KINASE ERN1, ERN2, EEF2K MAPT 2510/4885THRB 1381/4885RXFP1 2446/4885

“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.