SCHEMBL4146743

SCHEMBL4146743

COc1cc(/C=C/c2n[nH]c3ccc(C(=O)NCc4ccccc4)c(OC)c23)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.44
TP53 P04637 2/20 0.44
GLA P06280 1/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
APEX1 P27695 3/20 0.41
MAPT P10636 4/20 0.41
POLB P06746 3/20 0.41
KDM4E B2RXH2 2/20 0.41
THRB P10828 1/20 0.40
APP P05067 2/20 0.40
PKM P14618 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 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
SCHEMBL4146748 1.00 HPGD (0.44) HPGDTP53GLAALDH1A1LMNA
SCHEMBL4145292 0.93 HPGD (0.50) HPGDTP53GLAALDH1A1LMNA
SCHEMBL4145300 0.93 HPGD (0.50) HPGDTP53GLAALDH1A1LMNA
SCHEMBL4154690 0.93 APEX1 (0.42) HPGDTP53GLAALDH1A1LMNA
SCHEMBL4154688 0.93 APEX1 (0.42) HPGDTP53GLAALDH1A1LMNA
SCHEMBL4144030 0.92 APEX1 (0.49) HPGDTP53GLAALDH1A1LMNA
SCHEMBL4144025 0.92 APEX1 (0.49) HPGDTP53GLAALDH1A1LMNA
SCHEMBL6425768 0.91 ALDH1A1 (0.49) HPGDALDH1A1MAPK1MEN1KMT2A
SCHEMBL4148832 0.89 TP53 (0.46) HPGDTP53GLAALDH1A1LMNA
SCHEMBL4148835 0.89 TP53 (0.46) HPGDTP53GLAALDH1A1LMNA

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 7 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
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 HPGD 1849/4885TP53 1117/4885GLA 3621/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B HPGD 2100/4885TP53 1057/4885GLA 3818/4885

“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.