SCHEMBL6426340

SCHEMBL6426340

COc1c(C(=O)NCCCN2CCCC2=O)ccc2[nH]nc(/C=C/c3ccc(F)cc3)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 5/20 0.49
GAA P10253 4/20 0.49
KDM4E B2RXH2 3/20 0.49
HPGD P15428 3/20 0.49
HSD17B10 Q99714 2/20 0.49
LMNA P02545 1/20 0.44
RCE1 Q9Y256 1/20 0.42
CYP2C19 P33261 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
NPC1 O15118 1/20 0.41
ATM Q13315 1/20 0.41
TYRO3 Q06418 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL6427749 0.85 ALDH1A1 (0.49) ALDH1A1KDM4ELMNASMN1; SMN2TSHR
SCHEMBL6425942 0.84 DRD2 (0.39) HPGDSMN1; SMN2
SCHEMBL6428558 0.84 DRD2 (0.39) L3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL6427398 0.83 DRD2 (0.38) HPGDSMN1; SMN2MAPK1
SCHEMBL6426055 0.82 DRD2 (0.38) L3MBTL1HPGDSMN1; SMN2
SCHEMBL6427834 0.82 WNT1 (0.40) L3MBTL1GAAHPGDSMN1; SMN2MAPK1
SCHEMBL6430155 0.82 HDAC6 (0.39) HPGDSMN1; SMN2MAPK1
SCHEMBL6426284 0.81 POLB (0.50) L3MBTL1ALDH1A1HPGDHSD17B10TSHR
SCHEMBL4335954 0.81 L3MBTL1 (0.51) L3MBTL1ALDH1A1GAAKDM4EHPGD
SCHEMBL6425796 0.81 DRD2 (0.37) HPGDSMN1; SMN2MAPK1

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 L3MBTL1 4095/4885ALDH1A1 2713/4885GAA 4714/4885

“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.