SCHEMBL4153985

SCHEMBL4153985

COc1c(C(=O)NNC(=O)OC(C)(C)C)ccc2c1c(C=Cc1cccc(F)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
LMNA P02545 2/20 0.33
PKM P14618 1/20 0.33
NFE2L2 Q16236 4/20 0.32
RXFP1 Q9HBX9 1/20 0.31
AKR1C2 P52895 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
STAT1 P42224 1/20 0.31
RELA Q04206 1/20 0.31
PTGS1 P23219 2/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL4153982 1.00 SMN1; SMN2 (0.33) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL13927757 0.87 NFE2L2 (0.35) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL4146353 0.86 NFE2L2 (0.38) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL4146358 0.86 NFE2L2 (0.38) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL4143996 0.82 ELANE (0.36) SMN1; SMN2MAPTNPC1LMNANFE2L2
SCHEMBL4144001 0.82 ELANE (0.36) SMN1; SMN2MAPTNPC1LMNANFE2L2
SCHEMBL4151590 0.77 NFE2L2 (0.39) SMN1; SMN2MAPTNPC1RAB9ANFE2L2
SCHEMBL4151593 0.77 NFE2L2 (0.39) SMN1; SMN2MAPTNPC1RAB9ANFE2L2
SCHEMBL4150603 0.75 RXFP1 (0.35) SMN1; SMN2MAPTNPC1RAB9ALMNA
SCHEMBL4150612 0.75 RXFP1 (0.35) SMN1; SMN2MAPTNPC1RAB9ALMNA

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 SMN1; SMN2 3886/4885MAPT 2811/4885NPC1 3183/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B SMN1; SMN2 3772/4885MAPT 3014/4885NPC1 3703/4885

“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.