SCHEMBL6930123

SCHEMBL6930123

Cc1nc(OCc2ccncc2)ccc1C(=O)NCCC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
GRM2 Q14416 1/20 0.37
BRD4 O60885 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GABRA5 P31644 1/20 0.36
NNMT P40261 1/20 0.36
MLYCD O95822 1/20 0.36
POLB P06746 1/20 0.36
HSD17B13 Q7Z5P4 1/20 0.35
PIK3CG P48736 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
SCHEMBL6928867 0.90 NOX1 (0.53) NOX1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL6931129 0.82 GRM5 (0.51) NOX1
SCHEMBL6930268 0.81 SMN1; SMN2 (0.40) SMN1; SMN2RAB9ANPC1MAPK1BRD4
SCHEMBL6929802 0.80 GABRA5 (0.48) SMN1; SMN2RAB9ANPC1BRD4GABRA5
SCHEMBL1462220 0.78 NOX1 (0.54) NOX1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL6930489 0.72 MEN1 (0.43) NOX1SMN1; SMN2RAB9ANPC1BRD4
SCHEMBL6928147 0.72 NOX1 (0.48) NOX1ALDH1A1GABRA5
SCHEMBL5426273 0.71 NPC1 (0.58) RAB9ANPC1MLYCD
SCHEMBL6929270 0.70 GRM5 (0.47)
SCHEMBL2160214 0.70 NOX1 (0.53) NOX1BRD4ALDH1A1GABRA5

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-20110183980-A1 O-BENZYL NICOTINAMIDE ANALOGS AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-07-28 US disclosed
US-20110183980-A1 O-BENZYL NICOTINAMIDE ANALOGS AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-07-28 US disclosed
WO-2011035324-A1 O-BENZYL NICOTINAMIDE ANALOGS AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS VANDERBILT UNIVERSITY (US) 2011-03-24 WO 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-20110183980-A1 O-BENZYL NICOTINAMIDE ANALOGS AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS GRM5, GRIK5, GRM1 NOX1 824/4885SMN1; SMN2 1167/4885RAB9A 1383/4885

“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.