SCHEMBL4094981

SCHEMBL4094981

CC(C)n1nc(-c2ccc(C(F)(F)F)cc2)cc1CBr

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 6/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
RAD51 Q06609 1/20 0.37
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
PTGS2 P35354 2/20 0.35
MAOB P27338 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35
BLM P54132 1/20 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
SCHEMBL3202062 0.86 HTR2A (0.41) TRPV3HTR2AHTR2CHTR2BRAD51
SCHEMBL4089672 0.86 TRPV3 (0.43) TRPV3HTR2AHTR2CHTR2BRAD51
SCHEMBL4678016 0.81 TLR8 (0.42) RAD51CTSSCTSKPTGS2F2RL3
SCHEMBL4679427 0.77 TLR8 (0.41) RAD51CTSSCTSKPTGS2KDM4E
SCHEMBL28607430 0.74 GRM5 (0.52) PTGS2KDM4EALDH1A1LMNAHPGD
SCHEMBL4684515 0.73 MEN1 (0.50) GAALMNAKIF11
SCHEMBL3204187 0.73 PPARD (0.42) HTR2AHTR2CHTR2BCTSSKDM4E
SCHEMBL4089679 0.72 HTR2A (0.33) TRPV3HTR2AHTR2CHTR2BRAD51
SCHEMBL28611078 0.71 GRM5 (0.52) PTGS2KDM4EALDH1A1LMNAHPGD
SCHEMBL4681912 0.71 NPBWR1 (0.48) KDM4EALDH1A1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090240058-A1 Activator for Peroxisome Proliferator-Activating Receptor Delta NIPPON CHEMIPHAR CO., LTD. (JP) 2009-09-24 US disclosed
EP-1854784-A1 ACTIVATOR FOR PEROXISOME PROLIFERATOR ACTIVATING RECEPTOR Nippon Chemiphar Co., Ltd. (JP) 2007-11-14 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-20090240058-A1 Activator for Peroxisome Proliferator-Activating Receptor Delta PPARG, PPARA, PPARD TRPV3 1449/4885HTR2A 2656/4885HTR2C 2526/4885

“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.