SCHEMBL4152478

SCHEMBL4152478

COc1c(C(=O)NCc2ccccc2)ccc2[nH]nc(C=Cc3ccc(F)cc3F)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.43
HPGD P15428 2/20 0.43
GLA P06280 1/20 0.43
LMNA P02545 4/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 3/20 0.41
THRB P10828 1/20 0.41
KDR P35968 1/20 0.40
APEX1 P27695 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK5 O95279 1/20 0.39
KCNA5 P22460 1/20 0.39
KCNK17 Q96T54 1/20 0.39
KCNK9 Q9NPC2 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
SCHEMBL4152476 1.00 TP53 (0.43) TP53HPGDGLALMNAALDH1A1
SCHEMBL13927768 0.91 KDM4E (0.47) HPGDLMNAALDH1A1MAPK1SMN1; SMN2
SCHEMBL6427827 0.89 MAPK1 (0.39) TP53LMNAMAPK1MAPTTHRB
SCHEMBL6427309 0.89 KDM4E (0.44) HPGDALDH1A1SMN1; SMN2KDRL3MBTL1
SCHEMBL6426235 0.88 HPGD (0.45) TP53HPGDLMNAALDH1A1MAPK1
SCHEMBL4148835 0.88 TP53 (0.46) TP53HPGDGLALMNAALDH1A1
SCHEMBL4148832 0.88 TP53 (0.46) TP53HPGDGLALMNAALDH1A1
SCHEMBL6426341 0.87 KDM4E (0.47) HPGDALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL4154688 0.85 APEX1 (0.42) TP53HPGDGLALMNAALDH1A1
SCHEMBL4154690 0.85 APEX1 (0.42) TP53HPGDGLALMNAALDH1A1

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 TP53 1117/4885HPGD 1849/4885GLA 3621/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B TP53 1057/4885HPGD 2100/4885GLA 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.