SCHEMBL14804131

SCHEMBL14804131

Cc1ccc(Nc2ncc(COc3ccc4c(c3)oc(=O)n4COCC[Si](C)(C)C)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 6/20 0.42
▸ FFAR4 Q5NUL3 4/20 0.42
▸ MAOB P27338 2/20 0.38
▸ MAOA P21397 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ACHE P22303 1/20 0.36
▸ MET P08581 2/20 0.36
▸ ERBB2 P04626 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ MIF P14174 2/20 0.35
▸ AR P10275 1/20 0.35
▸ TNIK Q9UKE5 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
SCHEMBL14800428 0.90 TNIK (0.40) FFAR1FFAR4MAOBERBB2EGFR
SCHEMBL14818895 0.90 TNIK (0.40) FFAR1FFAR4METERBB2EGFR
SCHEMBL14804136 0.86 FFAR1 (0.44) FFAR1FFAR4MAOBMAOAALDH1A1
SCHEMBL31667435 0.77 MIF (0.53) ALDH1A1L3MBTL1METMIF
SCHEMBL14801382 0.74 TNIK (0.42) FFAR1FFAR4ALDH1A1ERBB2EGFR
SCHEMBL14800725 0.74 MAPT (0.45) MAOBERBB2EGFRARTNIK
SCHEMBL14800038 0.71 MIF (0.44) ALDH1A1MIFTNIK
SCHEMBL32686737 0.70 NPC1 (0.40) ALDH1A1METMIFTNIK
SCHEMBL32686754 0.70 NPC1 (0.43) ALDH1A1METMIFTNIK
SCHEMBL18189848 0.69 NPC1 (0.52) ALDH1A1METMIFTNIK

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-8841301-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-23 — — US disclosed
US-20130079338-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-28 — — 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-20130079338-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A FFAR1 415/4885FFAR4 704/4885MAOB 470/4885

“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.

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