SCHEMBL6927902

SCHEMBL6927902

CC(C)(C)CCNC(=O)c1cnc(OCc2ccncc2)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
BRD4 O60885 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MLYCD O95822 1/20 0.39
CNR1 P21554 1/20 0.39
GABRA5 P31644 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
NOX1 Q9Y5S8 1/20 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
SCHEMBL6930489 0.88 MEN1 (0.43) MEN1KMT2ABRD4CYP4F2CYP4A11
SCHEMBL6930977 0.85 XDH (0.45) BRD4CYP4F2CYP4A11MLYCDCNR1
SCHEMBL6929802 0.80 GABRA5 (0.48) BRD4MLYCDGABRA5SMN1; SMN2NPC1
SCHEMBL4046112 0.73 MLYCD (0.62) MEN1KMT2AHDAC2HDAC8HDAC6
SCHEMBL6930268 0.73 SMN1; SMN2 (0.40) BRD4LMNAMAPK1MLYCDSMN1; SMN2
SCHEMBL6930244 0.73 CNR1 (0.46) MEN1KMT2ALMNACNR1GABRA5
SCHEMBL6928898 0.72 GRM5 (0.48)
SCHEMBL6929861 0.71 GRM5 (0.48)
SCHEMBL1462224 0.71 MLYCD (0.56) MEN1KMT2AHDAC6MLYCDSMN1; SMN2
SCHEMBL6930962 0.71 KCNH2 (0.49) MEN1KMT2ABRD4LMNAMAPK1

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 MEN1 4615/4885KMT2A 1561/4885BRD4 120/4885

“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.