SCHEMBL6429293

SCHEMBL6429293

COc1c(C(=O)NCc2ccsc2)ccc2[nH]nc(/C=C/c3ccc(F)cc3)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
THRB P10828 2/20 0.37
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
MAPK1 P28482 3/20 0.36
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
KLKB1 P03952 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
KDR P35968 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33

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
SCHEMBL6425997 0.91 MAPK1 (0.38) ITGA4ITGB7MAPK1KLKB1KDR
SCHEMBL4152208 0.90 MAPT (0.45) MAPTTHRBMAPK1LMNATP53
SCHEMBL4152203 0.90 MAPT (0.45) MAPTTHRBMAPK1LMNATP53
SCHEMBL6427763 0.90 TUBB1 (0.40) MAPK1LMNATP53KLKB1TUBB4A
SCHEMBL6428700 0.90 MAPK1 (0.37) MAPTITGA4ITGB7MAPK1LMNA
SCHEMBL6427827 0.89 MAPK1 (0.39) MAPTTHRBITGA4ITGB7MAPK1
SCHEMBL4153387 0.88 LMNA (0.41) MAPTTHRBMAPK1LMNATP53
SCHEMBL4153391 0.88 LMNA (0.41) MAPTTHRBMAPK1LMNATP53
SCHEMBL4148832 0.88 TP53 (0.46) MAPTTHRBITGA4ITGB7MAPK1
SCHEMBL4148835 0.88 TP53 (0.46) MAPTTHRBITGA4ITGB7MAPK1

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-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 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-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B MAPT 3014/4885THRB 588/4885ITGA4 3724/4885

“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.