SCHEMBL4146353

SCHEMBL4146353

COc1c(C(=O)O)ccc2c1c(/C=C/c1cccc(F)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 6/20 0.38
AKR1C2 P52895 1/20 0.36
RELA Q04206 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
STAT1 P42224 1/20 0.36
PTGS1 P23219 2/20 0.35
BCL2L1 Q07817 1/20 0.35
BAD Q92934 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
PTGS2 P35354 1/20 0.33
GLO1 Q04760 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 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
SCHEMBL4146358 1.00 NFE2L2 (0.38) NFE2L2AKR1C2RELANPC1RAB9A
SCHEMBL4143996 0.90 ELANE (0.36) NFE2L2AKR1C2NPC1SMN1; SMN2ALDH1A1
SCHEMBL4144001 0.90 ELANE (0.36) NFE2L2AKR1C2NPC1SMN1; SMN2ALDH1A1
SCHEMBL4151590 0.88 NFE2L2 (0.39) NFE2L2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4151593 0.88 NFE2L2 (0.39) NFE2L2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4153982 0.86 SMN1; SMN2 (0.33) NFE2L2AKR1C2RELANPC1RAB9A
SCHEMBL4153985 0.86 SMN1; SMN2 (0.33) NFE2L2AKR1C2RELANPC1RAB9A
SCHEMBL13927756 0.85 NFE2L2 (0.41) NFE2L2AKR1C2RELANPC1RAB9A
SCHEMBL4146423 0.80 MAPK1 (0.34) MAPT
SCHEMBL4151252 0.79 ELANE (0.36) NPC1SMN1; SMN2ALDH1A1KDM4EMAPT

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 NFE2L2 434/4885AKR1C2 1072/4885RELA 867/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B NFE2L2 413/4885AKR1C2 1173/4885RELA 813/4885

“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.