SCHEMBL4880774

SCHEMBL4880774

Nc1cccc2c1ccn2-c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
CYP19A1 P11511 1/20 0.43
KCNH2 Q12809 4/20 0.40
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ROCK1 Q13464 1/20 0.36
BIRC5 O15392 1/20 0.36
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
GFER P55789 1/20 0.35
SCN9A Q15858 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
NSD2 O96028 1/20 0.34

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
SCHEMBL4878604 0.81 MAPT (0.46) ALDH1A1CYP19A1MAPTTDP1CYP3A4
SCHEMBL148789 0.81 ALDH1A1 (0.43) ALDH1A1CYP19A1KCNH2BIRC5PTGS1
SCHEMBL30234615 0.78 FFAR4 (0.52) ALDH1A1KCNH2MAPTCYP3A4HPGD
SCHEMBL23883999 0.78 FFAR4 (0.52) ALDH1A1KCNH2MAPTCYP3A4HPGD
SCHEMBL2610313 0.76 KDM4E (0.50) ALDH1A1CYP3A4ROCK1LMNASCN9A
SCHEMBL3138816 0.75 ROCK1 (0.52) ALDH1A1MAPTHPGDTSHRHSD17B10
SCHEMBL30684282 0.72 ROCK1 (0.34) ALDH1A1MAPTTDP1CYP3A4HPGD
SCHEMBL29923408 0.72 BIRC5 (0.67) ALDH1A1CYP19A1KCNH2MAPTROCK1
SCHEMBL4425726 0.72 BIRC5 (0.67) ALDH1A1CYP19A1KCNH2MAPTROCK1
SCHEMBL30234345 0.71 ROCK1 (0.57) ALDH1A1MAPTTDP1ROCK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080227820-A1 CYCLIC PHENYL-SUBSTITUTED INDAZOLS, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AG (DE) 2008-09-18 US 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-20080227820-A1 CYCLIC PHENYL-SUBSTITUTED INDAZOLS, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS PTGIS, PTGS1, PTGES ALDH1A1 238/4885CYP19A1 283/4885KCNH2 2756/4885

“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.