SCHEMBL4144879

SCHEMBL4144879

O=C(O)c1cc2c(/C=C/c3cccs3)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
HCAR2 Q8TDS4 1/20 0.34
MAPT P10636 6/20 0.34
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
GAA P10253 2/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
GALK1 P51570 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.33
SMN1; SMN2 Q16637 6/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TP53 P04637 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
POLB P06746 2/20 0.32
KDR P35968 1/20 0.32
HTT P42858 3/20 0.32

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
SCHEMBL4144882 1.00 LMNA (0.35) LMNAHCAR2MAPTNPC1RAB9A
SCHEMBL4143770 0.85 GRM4 (0.32) LMNAMAPTNPC1RAB9AGAA
SCHEMBL4143772 0.85 GRM4 (0.32) LMNAMAPTNPC1RAB9AGAA
SCHEMBL4154456 0.83 MAOA (0.37) LMNAMAPTNPC1RAB9AGAA
SCHEMBL4154453 0.83 MAOA (0.37) LMNAMAPTNPC1RAB9AGAA
SCHEMBL13927682 0.82 MAPT (0.38) LMNAHCAR2MAPTNPC1RAB9A
SCHEMBL4144640 0.82 NFE2L2 (0.39) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL4144638 0.82 NFE2L2 (0.39) MAPTNPC1RAB9ASMN1; SMN2POLB
SCHEMBL4153483 0.81 RELA (0.36) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL4153487 0.81 RELA (0.36) MAPTNPC1RAB9AKMT2AMEN1

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 6 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
CN-1656079-A Pyrazole compounds and pharmaceutical compositions containing the same EISAI CO LTD (JP) 2005-08-17 CN 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 LMNA 3403/4885HCAR2 574/4885MAPT 2811/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B LMNA 3498/4885HCAR2 661/4885MAPT 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.