SCHEMBL4149520

SCHEMBL4149520

COc1ccccc1CNC(=O)c1ccc2[nH]nc(/C=C/c3ccc(F)cc3)c2c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
HPGD P15428 5/20 0.49
ALDH1A1 P00352 9/20 0.48
KDM4E B2RXH2 5/20 0.48
NPC1 O15118 3/20 0.48
GAA P10253 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RCE1 Q9Y256 1/20 0.46
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 2/20 0.43
NLRP3 Q96P20 1/20 0.43
HDAC1 Q13547 1/20 0.42
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
MEN1 O00255 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
TSHR P16473 1/20 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
SCHEMBL4149527 1.00 PLA2G1B (0.50) PLA2G1BATG4BHPGDALDH1A1KDM4E
SCHEMBL4145941 0.93 LMNA (0.42) PLA2G1BATG4BHPGDALDH1A1KDM4E
SCHEMBL4145935 0.93 LMNA (0.42) PLA2G1BATG4BHPGDALDH1A1KDM4E
SCHEMBL4155890 0.90 ALDH1A1 (0.46) HPGDALDH1A1GAAPKMHTT
SCHEMBL4137486 0.90 EPHX2 (0.46) ROCK2ROCK1
SCHEMBL4155895 0.90 ALDH1A1 (0.46) HPGDALDH1A1GAAPKMHTT
SCHEMBL4137482 0.90 EPHX2 (0.46) ROCK2ROCK1
SCHEMBL4148832 0.89 TP53 (0.46) HPGDALDH1A1KDM4EL3MBTL1HTT
SCHEMBL4148835 0.89 TP53 (0.46) HPGDALDH1A1KDM4EL3MBTL1HTT
SCHEMBL4152203 0.88 MAPT (0.45) KDM4EGAAL3MBTL1KMT2A

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 PLA2G1B 4295/4885ATG4B 3106/4885HPGD 1849/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B PLA2G1B 4259/4885ATG4B 3321/4885HPGD 2100/4885

“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.