SCHEMBL5897153

SCHEMBL5897153

CCC(C)(C)C1CCc2c1sc(N)c2C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.40
MAPT P10636 11/20 0.40
MEN1 O00255 8/20 0.40
KMT2A Q03164 8/20 0.40
GAA P10253 7/20 0.40
KDM4E B2RXH2 7/20 0.40
HSD17B10 Q99714 5/20 0.40
HPGD P15428 4/20 0.40
ALOX15 P16050 3/20 0.40
CASP1 P29466 3/20 0.40
MAPK1 P28482 2/20 0.40
CASP7 P55210 1/20 0.40
PTK2B Q14289 1/20 0.40
ESR2 Q92731 1/20 0.40
BPTF Q12830 3/20 0.39
GCGR P47871 1/20 0.37
POLB P06746 2/20 0.37
PABPC1 P11940 1/20 0.37
RECQL P46063 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL2648374 0.76 ALDH1A1 (0.60) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL2648159 0.73 GCGR (0.68) ALDH1A1MAPTALOX15MAPK1GCGR
SCHEMBL5897234 0.70 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL12643575 0.66 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL20254477 0.66 PTPN5 (0.53) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL1719679 0.66 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL24862470 0.64 BPTF (0.62) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL1719562 0.63 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL2658305 0.61 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL12882448 0.61 BPTF (0.49) ALDH1A1MAPTMEN1KMT2AGAA

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-20060035958-A1 Method of treating diabetes and related conditions MERCK & CO., INC. 2006-02-16 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-20060035958-A1 Method of treating diabetes and related conditions GLP1R, GPR119, GCGR ALDH1A1 2972/4885MAPT 4230/4885MEN1 4082/4885

“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.