SCHEMBL730013

SCHEMBL730013

CCC(OC(c1c[nH]cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EDNRB P24530 2/20 0.31
EDNRA P25101 2/20 0.31
HSD17B10 Q99714 1/20 0.31
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 0.31
KIF11 P52732 2/20 0.31
CHRM2 P08172 2/20 0.30
CHRM4 P08173 2/20 0.30
CHRM1 P11229 2/20 0.30
CHRM3 P20309 2/20 0.30
CHRM5 P08912 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL7260793 0.79 KCNH2 (0.34) ALDH1A1HSD17B10
SCHEMBL729746 0.78 MEN1 (0.37) ALDH1A1SMN1; SMN2
SCHEMBL28104746 0.73
SCHEMBL732058 0.73 SLC6A2 (0.36)
SCHEMBL28813721 0.72
SCHEMBL7081435 0.71 KMT2A (0.37) ALDH1A1EDNRBEDNRAKIF11
SCHEMBL6771509 0.70
SCHEMBL8909793 0.69 CPA1 (0.34) ALDH1A1
SCHEMBL222976 0.69 MAPT (0.30)
SCHEMBL6772665 0.69

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-8138176-B2 Imidazo compounds NOVARTIS AG (CH) 2012-03-20 US disclosed
US-20110092492-A1 IMIDAZO COMPOUNDS HEROLD PETER 2011-04-21 US disclosed
US-7879847-B2 such as 4-(5,6-Dihydro-8H-imidazo[5,1-c][1,4]oxazin-5-yl)benzonitrile, having aldosterone synthase and/or 11- beta -hydroxylase inhibitory activity, used for the treatment of hypertension and Cushing's Syndrome NOVARTIS AG (CH) 2011-02-01 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-20110092492-A1 IMIDAZO COMPOUNDS REN, CYP11B2, CYP11B1 ALDH1A1 515/4885SMN1; SMN2 4516/4885EDNRB 363/4885

“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.