SCHEMBL822505

SCHEMBL822505

Cc1cccc(NC(=O)c2cc3nc(-c4ccc(CO)c(CO)c4)cc(C(F)(F)F)n3n2)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.62
MAPT P10636 7/20 0.61
TP53 P04637 2/20 0.57
KDM4E B2RXH2 2/20 0.56
SMN1; SMN2 Q16637 4/20 0.54
RXFP1 Q9HBX9 3/20 0.54
HPGD P15428 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL822398 0.85 MAPT (0.61) THRBMAPTTP53KDM4ESMN1; SMN2
SCHEMBL822518 0.85 MAPT (0.67) THRBMAPTTP53KDM4ESMN1; SMN2
SCHEMBL1719394 0.85 MAPT (0.78) THRBMAPTTP53KDM4ESMN1; SMN2
SCHEMBL17297256 0.79 THRB (0.69) THRBMAPTTP53KDM4ESMN1; SMN2
SCHEMBL1719088 0.77 MAPT (0.74) THRBMAPTTP53KDM4ESMN1; SMN2
SCHEMBL1718510 0.77 THRB (0.85) THRBMAPTTP53KDM4ESMN1; SMN2
SCHEMBL1718816 0.77 THRB (0.86) THRBMAPTTP53KDM4ESMN1; SMN2
SCHEMBL1718639 0.77 MAPT (0.84) THRBMAPTTP53KDM4ESMN1; SMN2
SCHEMBL1718821 0.77 MAPT (0.84) THRBMAPTTP53KDM4ESMN1; SMN2
SCHEMBL1718384 0.77 THRB (0.71) THRBMAPTTP53KDM4ERXFP1

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 THRB 1381/4885MAPT 2510/4885TP53 823/4885

“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.