SCHEMBL6427786

SCHEMBL6427786

O=C(NCC1CCCO1)c1cnc2[nH]nc(-c3ccc4ccccc4c3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.54
STAMBP O95630 1/20 0.54
COPS5 Q92905 1/20 0.54
HPGD P15428 6/20 0.51
RAB9A P51151 6/20 0.50
NPC1 O15118 2/20 0.50
HTT P42858 1/20 0.49
KDM4E B2RXH2 5/20 0.48
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 5/20 0.47
GAA P10253 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 2/20 0.47

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
SCHEMBL13927634 0.90 HPGD (0.58) PSMD14STAMBPCOPS5HPGDRAB9A
SCHEMBL4333976 0.84 MEN1 (0.51) HPGDRAB9ANPC1HTTKDM4E
SCHEMBL4345592 0.84 MEN1 (0.51) HPGDRAB9ANPC1HTTKDM4E
SCHEMBL4336801 0.79 GSK3B (0.54) HPGDRAB9ANPC1HTTKDM4E
SCHEMBL4338646 0.79 GSK3B (0.54) HPGDRAB9ANPC1HTTKDM4E
SCHEMBL4151588 0.79 HPGDS (0.47) HPGDRAB9ANPC1HTTKMT2A
SCHEMBL13927647 0.79 HTT (0.59) HPGDRAB9ANPC1HTTKDM4E
SCHEMBL6426385 0.77 HDAC3 (0.41) RAB9ANPC1
SCHEMBL4333955 0.77 KDM4E (0.56) HPGDRAB9ANPC1KDM4EHSD17B10
SCHEMBL6428817 0.76 ALDH1A1 (0.52) PSMD14STAMBPCOPS5HPGDRAB9A

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 3 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-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 PSMD14 4340/4885STAMBP 2938/4885COPS5 1499/4885

“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.