SCHEMBL4146512

SCHEMBL4146512

COc1ccc(/C=C/c2n[nH]c3ccc(C(=O)NCc4ccccc4)c(OC)c23)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.49
PPARG P37231 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NR2E3 Q9Y5X4 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
APP P05067 1/20 0.47
SNCA P37840 1/20 0.47
MAPT P10636 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.46
APEX1 P27695 1/20 0.45
HPGD P15428 4/20 0.44
TP53 P04637 2/20 0.44
GLA P06280 1/20 0.44
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL4146515 1.00 AURKA (0.49) AURKAPPARGL3MBTL1NR2E3NCOR2
SCHEMBL4148835 0.92 TP53 (0.46) AURKAL3MBTL1APPMAPTKMT2A
SCHEMBL4148832 0.92 TP53 (0.46) AURKAL3MBTL1APPMAPTKMT2A
SCHEMBL4156427 0.91 MAPT (0.51) AURKAMAPTMEN1KMT2ATP53
SCHEMBL4156431 0.91 MAPT (0.51) AURKAMAPTMEN1KMT2ATP53
SCHEMBL13927780 0.90 THRB (0.55) MAPTMEN1KMT2AKDM4EHPGD
SCHEMBL4144030 0.88 APEX1 (0.49) L3MBTL1APPMAPTMEN1KMT2A
SCHEMBL4144025 0.88 APEX1 (0.49) L3MBTL1APPMAPTMEN1KMT2A
SCHEMBL4154688 0.88 APEX1 (0.42) AURKAPPARGL3MBTL1NR2E3NCOR2
SCHEMBL4154690 0.88 APEX1 (0.42) AURKAPPARGL3MBTL1NR2E3NCOR2

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 AURKA 726/4885PPARG 239/4885L3MBTL1 4568/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B AURKA 710/4885PPARG 254/4885L3MBTL1 4095/4885

“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.