SCHEMBL4149703

SCHEMBL4149703

Nc1cc2c(/C=C/c3ccc(F)cc3)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.37
MAPT P10636 4/20 0.34
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ENPP2 Q13822 1/20 0.34
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
MLNR O43193 1/20 0.31
NR1I2 O75469 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
TBXA2R P21731 1/20 0.31

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
SCHEMBL4149708 1.00 NFE2L2 (0.37) NFE2L2MAPTKDM4EMEN1ALDH1A1
SCHEMBL4154631 0.90 NFE2L2 (0.35) NFE2L2RAB9AGRIN1GRIN2B
SCHEMBL4154628 0.90 NFE2L2 (0.35) NFE2L2RAB9AGRIN1GRIN2B
SCHEMBL4149268 0.89 NFE2L2 (0.42) NFE2L2MAPTKDM4EALDH1A1NPC1
SCHEMBL4149270 0.89 NFE2L2 (0.42) NFE2L2MAPTKDM4EALDH1A1NPC1
SCHEMBL4144054 0.87 NFE2L2 (0.37) NFE2L2MAPTKDM4EMEN1ALDH1A1
SCHEMBL4144061 0.87 NFE2L2 (0.37) NFE2L2MAPTKDM4EMEN1ALDH1A1
SCHEMBL4137835 0.85 NFE2L2 (0.36) NFE2L2MAPTKDM4EKMT2AL3MBTL1
SCHEMBL4137829 0.85 NFE2L2 (0.36) NFE2L2MAPTKDM4EKMT2AL3MBTL1
SCHEMBL4140916 0.85 CYP11B1 (0.40) NFE2L2MAPTKDM4EMEN1ALDH1A1

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 434/4885MAPT 2811/4885KDM4E 2622/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B NFE2L2 413/4885MAPT 3014/4885KDM4E 2795/4885

“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.