SCHEMBL5034404

SCHEMBL5034404

COc1c(C(=O)NCc2cccs2)ccc2[nH]nc(/C=C/c3ccc4occc4c3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.43
AURKA O14965 4/20 0.41
AURKB Q96GD4 4/20 0.41
KDM4E B2RXH2 4/20 0.41
TP53 P04637 3/20 0.38
MAPT P10636 3/20 0.38
HSD17B10 Q99714 2/20 0.38
PTGES O14684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 3/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 2/20 0.37
NPC1 O15118 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL5029995 0.88 ALDH1A1 (0.44) HPGDKDM4ETP53MAPTHSD17B10
SCHEMBL6426138 0.86 HPGD (0.56) HPGDAURKAAURKBKDM4EMAPT
SCHEMBL6428744 0.86 HPGD (0.45) HPGDAURKAAURKBKDM4ETP53
SCHEMBL5034299 0.86 AURKA (0.33) AURKAAURKBKDM4EALDH1A1MEN1
SCHEMBL5034297 0.86 AURKA (0.33) AURKAAURKBKDM4EALDH1A1MEN1
SCHEMBL5027605 0.86 ALDH1A1 (0.46) HPGDKDM4ELMNAALDH1A1MAPK1
SCHEMBL5031207 0.86 HPGDS (0.37) HPGDALDH1A1MAPK1
SCHEMBL6426372 0.85 TSHR (0.47) HPGDAURKAAURKBKDM4ETP53
SCHEMBL5029987 0.85 ACSS2 (0.36) HPGDAURKAAURKBKDM4EHSD17B10
SCHEMBL6427572 0.85 RECQL (0.48) HPGDAURKAAURKBKDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
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 HPGD 2100/4885AURKA 710/4885AURKB 579/4885

“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.