SCHEMBL4069141

SCHEMBL4069141

CC(C)COc1ccc(Cl)cc1I

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.54
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
PTGER1 P34995 9/20 0.44
XDH P47989 1/20 0.41
SCN4A P35499 2/20 0.41
TBXA2R P21731 1/20 0.40
PPARG P37231 1/20 0.40
PTGER3 P43115 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
GCGR P47871 1/20 0.39
MAPK14 Q16539 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL9967704 0.81 KDM1A (0.56) KDM1AALDH1A1GAAMAPTLMNA
SCHEMBL325648 0.80 SCN4A (0.60) KDM1AALDH1A1GAAPTGER1SCN4A
SCHEMBL278545 0.79 KDM1A (0.54) KDM1AALDH1A1GAAPTGER1SCN4A
SCHEMBL13347438 0.79 KDM1A (0.54) KDM1AALDH1A1GAAPTGER1XDH
SCHEMBL13676822 0.79 KDM1A (0.54) KDM1AALDH1A1GAAPTGER1PPARG
SCHEMBL358044 0.79 KDM1A (0.57) KDM1AALDH1A1GAAPTGER1XDH
SCHEMBL3727775 0.79 KDM1A (0.54) KDM1AALDH1A1GAAPTGER1SCN4A
SCHEMBL4723254 0.77 KDM1A (0.52) KDM1AALDH1A1GAAPTGER1MAPT
SCHEMBL13347873 0.77 PTGER1 (0.55) KDM1AALDH1A1GAAPTGER1MAPT
SCHEMBL3044927 0.77 KDM1A (0.52) KDM1AALDH1A1GAAPTGER1MAPT

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-20090099177-A1 PYRIDYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
US-20090099177-A1 PYRIDYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
US-20090099177-A1 PYRIDYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
EP-2013181-A1 PYRIDYL COMPOUNDS Glaxo Group Limited (GB) 2009-01-14 EP disclosed
WO-2007128752-A1 PYRIDYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-11-15 WO 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-20090099177-A1 PYRIDYL COMPOUNDS CYP2C19, CYP4F3, C5 KDM1A 2430/4885ALDH1A1 551/4885GAA 2601/4885

“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.