SCHEMBL4149276

SCHEMBL4149276

COc1ccc(CNC(=O)c2ccc3[nH]nc(/C=C/c4ccc(F)cc4)c3c2OC)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.50
LMNA P02545 6/20 0.47
TP53 P04637 2/20 0.47
MAPK1 P28482 2/20 0.46
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 1/20 0.42
PDE10A Q9Y233 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41

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
SCHEMBL4149278 1.00 APEX1 (0.50) APEX1LMNATP53MAPK1HDAC3
SCHEMBL4153387 0.93 LMNA (0.41) APEX1LMNATP53MAPK1HDAC3
SCHEMBL4153391 0.93 LMNA (0.41) APEX1LMNATP53MAPK1HDAC3
SCHEMBL4152203 0.92 MAPT (0.45) LMNATP53MAPK1SMN1; SMN2MAPT
SCHEMBL4152208 0.92 MAPT (0.45) LMNATP53MAPK1SMN1; SMN2MAPT
SCHEMBL4159694 0.89 TP53 (0.47) APEX1TP53MAPK1SMN1; SMN2MAPT
SCHEMBL4159698 0.89 TP53 (0.47) APEX1TP53MAPK1SMN1; SMN2MAPT
SCHEMBL4156427 0.89 MAPT (0.51) LMNATP53MAPK1MAPTTHRB
SCHEMBL4156431 0.89 MAPT (0.51) LMNATP53MAPK1MAPTTHRB
SCHEMBL4154023 0.88 EGLN1 (0.42) APEX1LMNATP53SMN1; SMN2MAPT

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 4097/4885LMNA 3403/4885TP53 1117/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B APEX1 3561/4885LMNA 3498/4885TP53 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.