SCHEMBL4154023

SCHEMBL4154023

COc1cc(CNC(=O)c2ccc3[nH]nc(C=Cc4ccc(F)cc4)c3c2OC)cc(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
WDR5 P61964 6/20 0.42
APEX1 P27695 1/20 0.41
KLKB1 P03952 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
POLB P06746 1/20 0.39
NQO2 P16083 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 2/20 0.38
LMNA P02545 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
SCHEMBL4154017 1.00 EGLN1 (0.42) EGLN1MAPTTHRBWDR5APEX1
SCHEMBL4143665 0.92 APEX1 (0.52) MAPTAPEX1SMN1; SMN2TP53
SCHEMBL4143659 0.92 APEX1 (0.52) MAPTAPEX1SMN1; SMN2TP53
SCHEMBL4156431 0.92 MAPT (0.51) EGLN1MAPTTHRBRXFP1POLB
SCHEMBL4156427 0.92 MAPT (0.51) EGLN1MAPTTHRBRXFP1POLB
SCHEMBL4152208 0.92 MAPT (0.45) MAPTTHRBRXFP1POLBSMN1; SMN2
SCHEMBL4152203 0.92 MAPT (0.45) MAPTTHRBRXFP1POLBSMN1; SMN2
SCHEMBL4153391 0.91 LMNA (0.41) MAPTTHRBAPEX1POLBSMN1; SMN2
SCHEMBL4153387 0.91 LMNA (0.41) MAPTTHRBAPEX1POLBSMN1; SMN2
SCHEMBL4140164 0.90 LMNA (0.39) MAPTTHRBNQO2TP53LMNA

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 EGLN1 3422/4885MAPT 2811/4885THRB 561/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B EGLN1 3231/4885MAPT 3014/4885THRB 588/4885

“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.