SCHEMBL4145446

SCHEMBL4145446

COc1ccc(/C=C/c2n[nH]c3ccc(C(=O)NCC#N)c(OC)c23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 4/20 0.38
LMNA P02545 1/20 0.38
GSK3B P49841 1/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
CYP3A4 P08684 1/20 0.37
AURKA O14965 2/20 0.36
AURKB Q96GD4 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 3/20 0.35
EGLN1 Q9GZT9 1/20 0.35
POLB P06746 1/20 0.35
SNCA P37840 1/20 0.35
HPGD P15428 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL4145449 1.00 RAB9A (0.39) RAB9ASMN1; SMN2NPC1LMNAGSK3B
SCHEMBL4145196 0.91 EGLN1 (0.34) SMN1; SMN2ALDH1A1MAPTAURKAAURKB
SCHEMBL4145185 0.91 EGLN1 (0.34) SMN1; SMN2ALDH1A1MAPTAURKAAURKB
SCHEMBL13927850 0.88 MAPT (0.38) RAB9ASMN1; SMN2NPC1LMNAGSK3B
SCHEMBL4139927 0.88 CHEK1 (0.43) LMNAALDH1A1MAPTKDM4EPOLB
SCHEMBL4139933 0.88 CHEK1 (0.43) LMNAALDH1A1MAPTKDM4EPOLB
SCHEMBL4146020 0.87 AURKA (0.35) GSK3BAURKAAURKBEGLN1
SCHEMBL4146023 0.87 AURKA (0.35) GSK3BAURKAAURKBEGLN1
SCHEMBL4145411 0.86 KDM4E (0.48) RAB9ASMN1; SMN2NPC1LMNAGSK3B
SCHEMBL4145405 0.86 KDM4E (0.48) RAB9ASMN1; SMN2NPC1LMNAGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 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
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP 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 (2 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B RAB9A 1606/4885SMN1; SMN2 3886/4885NPC1 3183/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B RAB9A 1726/4885SMN1; SMN2 3772/4885NPC1 3703/4885

“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.