SCHEMBL1880396

SCHEMBL1880396

CCOC(=O)c1sc(Nc2cccc(C)c2)nc1-c1ccncc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 17/20 0.69
ALDH1A1 P00352 2/20 0.58
MAPT P10636 2/20 0.58
LMNA P02545 1/20 0.58
GAA P10253 1/20 0.58
HPGD P15428 1/20 0.58
PPARG P37231 1/20 0.58
HTT P42858 1/20 0.58
NCOA2 Q15596 1/20 0.58
NCOA1 Q15788 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CDC7 O00311 1/20 0.57
DBF4 Q9UBU7 1/20 0.57
KDM4E B2RXH2 1/20 0.57

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
SCHEMBL12672194 0.89 DHODH (0.87) DHODHMAPTHPGDCDC7DBF4
SCHEMBL1885430 0.86 MAPT (0.63) DHODHALDH1A1MAPTLMNAGAA
SCHEMBL1883114 0.86 MAPT (0.66) DHODHALDH1A1MAPTLMNAGAA
SCHEMBL12639936 0.86 SMN1; SMN2 (0.68) DHODHALDH1A1MAPTLMNAGAA
SCHEMBL12296366 0.83 MAPT (0.79) DHODHALDH1A1MAPTLMNAGAA
SCHEMBL1887782 0.83 MAPT (0.60) DHODHALDH1A1MAPTLMNAGAA
SCHEMBL27971291 0.82 DHODH (1.00) DHODHMAPTHPGD
SCHEMBL1881163 0.82 DHODH (0.84) DHODHCDC7DBF4
SCHEMBL1878569 0.80 MAPT (0.62) ALDH1A1MAPTLMNAGAAHPGD
SCHEMBL1891820 0.79 MAPT (0.58) DHODHALDH1A1MAPTLMNAGAA

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 DHODH 822/4885ALDH1A1 1737/4885MAPT 2506/4885

“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.