SCHEMBL14901098

SCHEMBL14901098

Cc1ccc(-c2nc(C[S+]([O-])CC(=O)N3CCN(c4ccc(C)cc4)CC3)c(C)o2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.60
TP53 P04637 3/20 0.60
SMN1; SMN2 Q16637 7/20 0.59
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 2/20 0.52
POLB P06746 2/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TSHR P16473 2/20 0.50
MEN1 O00255 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
ALOX15 P16050 1/20 0.49

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
SCHEMBL12008302 0.95 MAPT (0.68) MAPTTP53SMN1; SMN2ALDH1A1KDM4E
SCHEMBL12008165 0.95 MAPT (0.68) MAPTTP53SMN1; SMN2ALDH1A1KDM4E
SCHEMBL12008294 0.95 MAPT (0.67) MAPTTP53SMN1; SMN2ALDH1A1KDM4E
SCHEMBL13694824 0.92 MAPT (0.60) MAPTTP53SMN1; SMN2ALDH1A1KDM4E
SCHEMBL12008328 0.90 MAPT (0.59) MAPTTP53SMN1; SMN2ALDH1A1KDM4E
SCHEMBL12008295 0.90 MAPT (0.70) MAPTTP53SMN1; SMN2ALDH1A1KDM4E
SCHEMBL12008298 0.90 ALDH1A1 (0.65) MAPTTP53SMN1; SMN2ALDH1A1KDM4E
SCHEMBL12008166 0.89 ALDH1A1 (0.67) MAPTTP53SMN1; SMN2ALDH1A1KDM4E
SCHEMBL12008293 0.87 ALDH1A1 (0.66) MAPTTP53SMN1; SMN2ALDH1A1KDM4E
SCHEMBL12008151 0.87 MAPT (0.63) MAPTTP53SMN1; SMN2LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF NEW YORK UNIVERSITY 2013-05-02 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-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 MAPT 1929/4885TP53 73/4885SMN1; SMN2 3198/4885

“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.