SCHEMBL4145941

SCHEMBL4145941

COc1c(C(=O)NCc2ccccc2F)ccc2[nH]nc(C=Cc3ccc(F)cc3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 1/20 0.41
KLKB1 P03952 1/20 0.41
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KCNK3 O14649 1/20 0.40
KCNK5 O95279 1/20 0.40
KCNA5 P22460 1/20 0.40
KCNK17 Q96T54 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
PDE10A Q9Y233 1/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39

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
SCHEMBL4145935 1.00 LMNA (0.42) LMNAPLA2G1BATG4BALDH1A1HPGD
SCHEMBL4149527 0.93 PLA2G1B (0.50) PLA2G1BATG4BALDH1A1HPGDTSHR
SCHEMBL4149520 0.93 PLA2G1B (0.50) PLA2G1BATG4BALDH1A1HPGDTSHR
SCHEMBL4137486 0.90 EPHX2 (0.46) KLKB1ROCK2ROCK1P2RX7
SCHEMBL4137482 0.90 EPHX2 (0.46) KLKB1ROCK2ROCK1P2RX7
SCHEMBL4148835 0.89 TP53 (0.46) LMNAALDH1A1HPGDMAPTKDM4E
SCHEMBL4148832 0.89 TP53 (0.46) LMNAALDH1A1HPGDMAPTKDM4E
SCHEMBL4152203 0.88 MAPT (0.45) LMNAMAPTKDM4EGAAL3MBTL1
SCHEMBL4152208 0.88 MAPT (0.45) LMNAMAPTKDM4EGAAL3MBTL1
SCHEMBL6426286 0.86 KDM4E (0.43) LMNAALDH1A1HPGDNPC1KDM4E

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 LMNA 3403/4885PLA2G1B 4295/4885ATG4B 3106/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B LMNA 3498/4885PLA2G1B 4259/4885ATG4B 3321/4885

“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.