SCHEMBL4178607

SCHEMBL4178607

CC(C)c1ccc(NC(=S)NC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
GAA P10253 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
KMT2A Q03164 3/20 0.56
LMNA P02545 3/20 0.56
MAPT P10636 6/20 0.56
HPGD P15428 2/20 0.55
ALOX12 P18054 2/20 0.55
GPR55 Q9Y2T6 1/20 0.55
RECQL P46063 1/20 0.53
EPHX1 P07099 2/20 0.51
KIF11 P52732 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MEN1 O00255 2/20 0.51
MAPK1 P28482 2/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 2/20 0.51
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL9453890 0.83 ALDH1A1 (0.65) ALDH1A1GAASMN1; SMN2KMT2ALMNA
SCHEMBL1027400 0.81 KIF11 (0.61) SMN1; SMN2KMT2ALMNAMAPTHPGD
SCHEMBL4167105 0.81 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2KMT2ALMNAMAPT
SCHEMBL28330755 0.79 MAPT (0.64) ALDH1A1SMN1; SMN2KMT2ALMNAMAPT
SCHEMBL14129389 0.78 ALDH1A1 (0.57) ALDH1A1GAASMN1; SMN2KMT2ALMNA
SCHEMBL23728134 0.77 EPHX1 (0.71) ALDH1A1GAASMN1; SMN2KMT2ALMNA
SCHEMBL18401220 0.77 RAB9A (0.56) ALDH1A1GAASMN1; SMN2KMT2ALMNA
Hydrochloric Acid SCHEMBL9893477 0.77 SIRT2 (0.63) ALDH1A1SMN1; SMN2KMT2ALMNAMAPT
SCHEMBL457452 0.77 MAPT (0.63) ALDH1A1GAASMN1; SMN2KMT2ALMNA
Hydrochloric Acid SCHEMBL9893475 0.76 SIRT2 (0.61) ALDH1A1SMN1; SMN2KMT2ALMNAMAPT

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-20090004185-A1 AMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF BETA-CATENIN/TCF-4 PATHWAY AND CANCER TREATMENT AGENTS WYETH (US) 2009-01-01 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-20090004185-A1 AMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF BETA-CATENIN/TCF-4 PATHWAY AND CANCER TREATMENT AGENTS TCF4, CTNNB1, TCF7 ALDH1A1 2808/4885GAA 3406/4885SMN1; SMN2 4786/4885

“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.