SCHEMBL1891091

SCHEMBL1891091

COC(=O)CCc1sc(Nc2cccc(C)c2)nc1-c1ccncc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.63
GAA P10253 9/20 0.63
ALDH1A1 P00352 7/20 0.63
MEN1 O00255 6/20 0.63
KMT2A Q03164 6/20 0.63
KDM4E B2RXH2 2/20 0.59
GFER P55789 1/20 0.59
LMNA P02545 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 2/20 0.49
HPGD P15428 2/20 0.49
PPARG P37231 1/20 0.49
NCOA2 Q15596 1/20 0.49
NCOA1 Q15788 1/20 0.49
RAB9A P51151 2/20 0.49
MAPK1 P28482 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
PTGDR2 Q9Y5Y4 5/20 0.45
CHRNA7 P36544 1/20 0.43

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
SCHEMBL1888458 0.90 MAPT (0.67) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL12639843 0.90 MAPT (0.61) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL1881947 0.83 MAPT (0.58) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL1878569 0.83 MAPT (0.62) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL1883173 0.79 MAPT (0.57) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL12639936 0.78 SMN1; SMN2 (0.68) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL1883114 0.78 MAPT (0.66) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL1885430 0.78 MAPT (0.63) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL1880396 0.78 DHODH (0.69) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL1888403 0.77 MAPT (0.55) MAPTGAAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT AUCKLAND UNISERVICES LIMITED (NZ) 2011-05-05 US claimed
US-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT AUCKLAND UNISERVICES LIMITED (NZ) 2011-05-05 US disclosed
US-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT AUCKLAND UNISERVICES LIMITED (NZ) 2011-05-05 US disclosed
WO-2009114552-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-09-17 WO disclosed
WO-2009114552-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-09-17 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-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT VHL, TP53, BECN1 MAPT 2506/4885GAA 79/4885ALDH1A1 1737/4885

“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.