SCHEMBL543303

SCHEMBL543303

[C]1=C(c2nnn[nH]2)Cc2ccccc2O1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.34
MAOB P27338 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
SCHEMBL4747222 0.70 MAOA (0.39) MAOAMAOB
SCHEMBL16239326 0.66 MAOA (0.38) MAOAMAOB
SCHEMBL482462 0.66 KDM4E (0.34) MAOAMAOB
SCHEMBL7450648 0.64 NPC1 (0.42)
SCHEMBL1848536 0.63 MAOA (0.46) MAOAMAOB
SCHEMBL7657314 0.62 MAOB (0.43) MAOAMAOB
SCHEMBL6016756 0.62 ALPL (0.38) MAOB
SCHEMBL12615990 0.61 ALDH1A1 (0.38)
SCHEMBL4950 0.60 NR1H2 (0.43)
SCHEMBL6260959 0.60

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-8110598-B2 (+-) Ethyl 3-{4-[2-(pyrrol-1-yl)ethoxy]phenyl}-2-ethoxypropanoate; hyperlipidaemia, hypercholesteremia, hyperglycemia, obesity, impaired glucose intolerance, leptin resistance, insulin resistance, reducing plasma glucose, triglycerides, total cholesterol, LDL, VLDL or free fatty acids in the plasma CADILA HEALTHCARE LIMITED (IN) 2012-02-07 US disclosed
US-20080188402-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN MEDICINE CADILLA HEALTHCARE LIMITED (IN) 2008-08-07 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-20080188402-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN MEDICINE CYP11B2, MAPT, CYP11B1 MAOA 912/4885MAOB 603/4885

“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.