SCHEMBL2409689

SCHEMBL2409689

Cc1ccc(-c2cnc(C)s2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 2/20 0.42
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LIMK1 P53667 3/20 0.39
ESR2 Q92731 2/20 0.39
ADORA2A P29274 2/20 0.36
LIMK2 P53671 1/20 0.36
GAA P10253 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
CYP17A1 P05093 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
SCHEMBL1748348 0.84 L3MBTL1 (0.53) MAPTHPGDKDM4EMEN1LMNA
SCHEMBL2095752 0.78 KDM4E (0.47) MAPTHPGDKDM4EMEN1LMNA
SCHEMBL21091358 0.77 HPGD (0.43) HPGDKDM4EMEN1KMT2ANPSR1
SCHEMBL16574175 0.75 PIK3CD (0.47) NPSR1PIK3CDPIK3CBPIK3CGPIK3C3
SCHEMBL13183558 0.74 CYP2A6 (0.47) HPGDADORA2AALDH1A1HSD17B10
SCHEMBL10147424 0.73 MAPT (0.48) MAPTHPGDKDM4EMEN1LMNA
SCHEMBL25105387 0.73 ESR1 (0.40) HPGDKMT2ANPSR1PIK3CDPIK3CB
SCHEMBL14435919 0.72 AOC3 (0.47) MAPTHPGDKDM4EMEN1LMNA
SCHEMBL10442596 0.72 HCAR2 (0.46) NPSR1PIK3CDPIK3CBPIK3CGPIK3C3
SCHEMBL12743889 0.71 MAPT (0.39) MAPTHPGDKDM4EMEN1LMNA

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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 MAPT 1419/4885HPGD 2412/4885KDM4E 452/4885

“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.