SCHEMBL6428817

SCHEMBL6428817

O=C(NCc1cccs1)c1cnc2[nH]nc(-c3ccc4ccccc4c3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
PSMD14 O00487 2/20 0.52
STAMBP O95630 2/20 0.52
COPS5 Q92905 2/20 0.52
TTK P33981 1/20 0.51
HPGD P15428 6/20 0.47
GAA P10253 3/20 0.47
LMNA P02545 3/20 0.44
MAPK1 P28482 2/20 0.44
RAB9A P51151 4/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 3/20 0.43
MAPT P10636 2/20 0.43
USP2 O75604 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL4331515 0.83 TTK (0.49) ALDH1A1PSMD14STAMBPCOPS5TTK
SCHEMBL6426151 0.83 HPGD (0.58) ALDH1A1PSMD14STAMBPHPGDGAA
SCHEMBL6428249 0.81 PSMD14 (0.52) ALDH1A1PSMD14STAMBPGAALMNA
SCHEMBL4150719 0.78 CA12 (0.48) MAPK1
SCHEMBL6427786 0.76 PSMD14 (0.54) ALDH1A1PSMD14STAMBPCOPS5HPGD
SCHEMBL4151588 0.76 HPGDS (0.47) HPGDRAB9ASMN1; SMN2NPC1HTT
SCHEMBL4341021 0.75 MAPT (0.49) ALDH1A1TTKHPGDGAALMNA
SCHEMBL6426335 0.74 KMT2A (0.46) ALDH1A1TTKHPGDGAALMNA
SCHEMBL6427310 0.74 CNR1 (0.44) MAPK1RAB9ANPC1KDM4E
SCHEMBL4341067 0.73 RAB9A (0.46) ALDH1A1TTKHPGDGAALMNA

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 ALDH1A1 2713/4885PSMD14 4340/4885STAMBP 2938/4885

“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.