SCHEMBL4154690

SCHEMBL4154690

COc1c(C(=O)NCc2ccccc2)ccc2[nH]nc(C=Cc3ccc(F)c(F)c3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 3/20 0.42
HPGD P15428 3/20 0.41
TP53 P04637 2/20 0.41
GLA P06280 1/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
AURKA O14965 2/20 0.40
AURKB Q96GD4 1/20 0.40
KDM4E B2RXH2 1/20 0.39
APP P05067 1/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RAB9A P51151 1/20 0.38
POLB P06746 2/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL4154688 1.00 APEX1 (0.42) APEX1HPGDTP53GLAALDH1A1
SCHEMBL4146748 0.93 HPGD (0.44) APEX1HPGDTP53GLAALDH1A1
SCHEMBL4145292 0.93 HPGD (0.50) APEX1HPGDTP53GLAALDH1A1
SCHEMBL4146743 0.93 HPGD (0.44) APEX1HPGDTP53GLAALDH1A1
SCHEMBL4145300 0.93 HPGD (0.50) APEX1HPGDTP53GLAALDH1A1
SCHEMBL6427073 0.91 RECQL (0.46) HPGDALDH1A1HTTLMNAMAPK1
SCHEMBL4148835 0.90 TP53 (0.46) APEX1HPGDTP53GLAALDH1A1
SCHEMBL4148832 0.90 TP53 (0.46) APEX1HPGDTP53GLAALDH1A1
SCHEMBL4144030 0.89 APEX1 (0.49) APEX1HPGDTP53GLAALDH1A1
SCHEMBL4144025 0.89 APEX1 (0.49) APEX1HPGDTP53GLAALDH1A1

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 APEX1 4097/4885HPGD 1849/4885TP53 1117/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B APEX1 3561/4885HPGD 2100/4885TP53 1057/4885

“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.