SCHEMBL4144030

SCHEMBL4144030

COc1ccc(C=Cc2n[nH]c3ccc(C(=O)NCc4ccccc4)c(OC)c23)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.49
KDM4E B2RXH2 3/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 4/20 0.47
TP53 P04637 1/20 0.47
GLA P06280 1/20 0.47
CAPN1 P07384 2/20 0.45
POLB P06746 4/20 0.44
APP P05067 2/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL4144025 1.00 APEX1 (0.49) APEX1KDM4EMAPTHPGDTP53
SCHEMBL4145292 0.92 HPGD (0.50) APEX1KDM4EMAPTHPGDTP53
SCHEMBL4146743 0.92 HPGD (0.44) APEX1KDM4EMAPTHPGDTP53
SCHEMBL4145300 0.92 HPGD (0.50) APEX1KDM4EMAPTHPGDTP53
SCHEMBL4146748 0.92 HPGD (0.44) APEX1KDM4EMAPTHPGDTP53
SCHEMBL6426042 0.91 POLB (0.53) APEX1KDM4EMAPTHPGDPOLB
SCHEMBL4154690 0.89 APEX1 (0.42) APEX1KDM4EMAPTHPGDTP53
SCHEMBL4154688 0.89 APEX1 (0.42) APEX1KDM4EMAPTHPGDTP53
SCHEMBL4146512 0.88 AURKA (0.49) APEX1KDM4EMAPTHPGDTP53
SCHEMBL4146515 0.88 AURKA (0.49) APEX1KDM4EMAPTHPGDTP53

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 4 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

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 4097/4885KDM4E 2622/4885MAPT 2811/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B APEX1 3561/4885KDM4E 2795/4885MAPT 3014/4885

“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.