SCHEMBL14804136

SCHEMBL14804136

Cc1ccc(Nc2ncc(COc3ccc4c(c3)oc(=O)n4CO)cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 6/20 0.44
▸ FFAR4 Q5NUL3 4/20 0.44
▸ MAOB P27338 2/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MIF P14174 2/20 0.40
▸ ACHE P22303 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ERBB2 P04626 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ MET P08581 2/20 0.37

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
SCHEMBL14800725 0.88 MAPT (0.45) MAOBMAPTERBB2SMN1; SMN2
SCHEMBL14801382 0.88 TNIK (0.42) FFAR1FFAR4ALDH1A1ERBB2SMN1; SMN2
SCHEMBL14804131 0.86 FFAR1 (0.42) FFAR1FFAR4MAOBMAOAMIF
SCHEMBL14800428 0.76 TNIK (0.40) FFAR1FFAR4MAOBMAPTERBB2
SCHEMBL14818895 0.76 TNIK (0.40) FFAR1FFAR4ERBB2MET
SCHEMBL17260683 0.71 TP53 (0.53) ALDH1A1MAPTL3MBTL1SMN1; SMN2MET
SCHEMBL17260686 0.67 ACHE (0.52) MAOBMAOAMIFACHEALDH1A1
SCHEMBL14804157 0.67 MAPT (0.49) FFAR1FFAR4MAPTSMN1; SMN2
SCHEMBL14804144 0.65 HDAC3 (0.42) MAOBALDH1A1MAPT
SCHEMBL20792818 0.62 JAK1 (0.55) —

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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