SCHEMBL4139751

SCHEMBL4139751

Nc1ccc2c(c(/C=C/c3cccc(F)c3)nn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 10/20 0.42
GRM4 Q14833 1/20 0.36
HRH4 Q9H3N8 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
STAT1 P42224 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGS1 P23219 3/20 0.33
PTGS2 P35354 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
PARP1 P09874 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33

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
SCHEMBL4139754 1.00 NFE2L2 (0.42) NFE2L2GRM4HRH4ALDH1A1KDM4E
SCHEMBL4151593 0.85 NFE2L2 (0.39) NFE2L2ALDH1A1KDM4EMAPTNPC1
SCHEMBL4151590 0.85 NFE2L2 (0.39) NFE2L2ALDH1A1KDM4EMAPTNPC1
SCHEMBL4140271 0.82 NFE2L2 (0.43) NFE2L2GRM4HRH4ALDH1A1KDM4E
SCHEMBL4140266 0.82 NFE2L2 (0.43) NFE2L2GRM4HRH4ALDH1A1KDM4E
SCHEMBL4149268 0.81 NFE2L2 (0.42) NFE2L2GRM4HRH4ALDH1A1KDM4E
SCHEMBL4149270 0.81 NFE2L2 (0.42) NFE2L2GRM4HRH4ALDH1A1KDM4E
SCHEMBL13927701 0.81 NFE2L2 (0.45) NFE2L2GRM4HRH4ALDH1A1KDM4E
SCHEMBL2867613 0.78 ADORA2A (0.39) ALDH1A1KDM4EXBP1
SCHEMBL4152134 0.77 NFE2L2 (0.43) NFE2L2GRM4HRH4ALDH1A1KDM4E

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 434/4885GRM4 1775/4885HRH4 248/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B NFE2L2 413/4885GRM4 1386/4885HRH4 323/4885

“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.