SCHEMBL5162928

SCHEMBL5162928

COc1ccc(-c2cc(C(=O)N3CCC(F)(F)CC3)nn2-c2cccnc2)nn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
MGLL Q99685 4/20 0.38
CHRNA7 P36544 1/20 0.38
GABRA1 P14867 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CCKAR P32238 1/20 0.37
GRM1 Q13255 1/20 0.36
SCD O00767 1/20 0.35
SCD5 Q86SK9 1/20 0.35
MARS1 P56192 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGS2 P35354 2/20 0.35

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
SCHEMBL4929893 0.89 GRM1 (0.39) MGLLCHRNA7GABRA1GRM1MARS1
SCHEMBL4932389 0.87 MGLL (0.49) LMNAMGLLPTGS2
SCHEMBL4935720 0.87 HPGD (0.45) ALDH1A1LMNAHPGDMGLLCHRNA7
SCHEMBL4931684 0.84 KDM1A (0.43) MGLLCHRNA7TDP1CCKARGRM1
SCHEMBL4924280 0.83 MGLL (0.38) ALDH1A1LMNAHPGDMGLLCHRNA7
SCHEMBL4931192 0.83 MGLL (0.45) MGLLCHRNA7MARS1CYP3A4CYP1A2
SCHEMBL4932171 0.83 MGLL (0.39) HPGDMGLLCHRNA7GABRA1GRM1
SCHEMBL4932442 0.82 CHRNA7 (0.39) HPGDMGLLCHRNA7GRM1MARS1
SCHEMBL5268114 0.82 HPGD (0.41) HPGDMGLLCHRNA7CYP3A4CYP1A2
SCHEMBL4931713 0.82 CHRNA7 (0.40) MGLLCHRNA7MARS1CYP3A4CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 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 (1 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-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 ALDH1A1 248/4885LMNA 4596/4885HPGD 1996/4885

“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.