SCHEMBL7456563

SCHEMBL7456563

COC(=O)c1ccc(COc2ccccc2)nc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
CYSLTR1 Q9Y271 1/20 0.53
MAPK1 P28482 2/20 0.53
KDM4E B2RXH2 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NPC1 O15118 2/20 0.51
TSHR P16473 1/20 0.47
GPBAR1 Q8TDU6 1/20 0.47
PARP10 Q53GL7 1/20 0.47
TLR4 O00206 1/20 0.47
TLR2 O60603 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL14966277 0.86 MAPT (0.64) MAPTRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL19313609 0.84 GPBAR1 (0.58) MAPTCYSLTR1KDM4EGPBAR1PARP10
SCHEMBL28413229 0.84 CYSLTR1 (0.53) MAPTRAB9ASMN1; SMN2KMT2ACYSLTR1
SCHEMBL7454446 0.84 MRGPRX4 (0.64) MAPTRAB9AKMT2AMEN1CYSLTR1
SCHEMBL1439028 0.83 MAPK1 (0.59) MAPTRAB9AKMT2AMEN1MAPK1
SCHEMBL12020460 0.82 GRM5 (0.57) MAPTRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL4550597 0.82 KMT2A (0.50) MAPTSMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL9989631 0.82 MRGPRX4 (0.48) MAPTRAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL12020428 0.81 HPGD (0.56) RAB9ASMN1; SMN2KMT2AMEN1NPC1
SCHEMBL17664420 0.81 MAPK1 (0.54) MAPTRAB9ASMN1; SMN2KMT2AMAPK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969389-B2 Substituted 6-methylnicotinamides as mGluR5 positive allosteric modulators VANDERBILT UNIVERSITY (US) 2015-03-03 US disclosed
US-8969389-B2 Substituted 6-methylnicotinamides as mGluR5 positive allosteric modulators VANDERBILT UNIVERSITY (US) 2015-03-03 US disclosed
US-8969389-B2 Substituted 6-methylnicotinamides as mGluR5 positive allosteric modulators VANDERBILT UNIVERSITY (US) 2015-03-03 US disclosed
EP-2575461-A1 SUBSTITUTED-6-METHYLNICOTINAMIDES AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS Vanderbilt University (US) 2013-04-10 EP disclosed
US-20110294858-A1 SUBSTITUTED 6-METHYLNICOTINAMIDES AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-12-01 US disclosed
US-20110294858-A1 SUBSTITUTED 6-METHYLNICOTINAMIDES AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-12-01 US disclosed
US-20110294858-A1 SUBSTITUTED 6-METHYLNICOTINAMIDES AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-12-01 US disclosed
WO-2011149963-A1 SUBSTITUTED-6-METHYLNICOTINAMIDES AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS VANDERBILT UNIVERSITY (US) 2011-12-01 WO disclosed
WO-2011149963-A1 SUBSTITUTED-6-METHYLNICOTINAMIDES AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS VANDERBILT UNIVERSITY (US) 2011-12-01 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-20110294858-A1 SUBSTITUTED 6-METHYLNICOTINAMIDES AS MGLUR5 POSITIVE ALLOSTERIC MODULATORS GRM5, GRIK5, GRM6 MAPT 270/4885RAB9A 2376/4885SMN1; SMN2 1172/4885

“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.