SCHEMBL17649727

SCHEMBL17649727

NNc1ncc(Br)cc1COC1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
DHFR P00374 1/20 0.34
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
OPRK1 P41145 1/20 0.32
CREBBP Q92793 1/20 0.31
CCR5 P51681 1/20 0.31

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
SCHEMBL15280629 0.84 KDM4C (0.43) KDM4CL3MBTL1NPC1RAB9ADHFR
SCHEMBL17649327 0.81 L3MBTL1 (0.43) KDM4CL3MBTL1NPC1RAB9ADHFR
SCHEMBL15280618 0.79 KDM4C (0.39) KDM4CL3MBTL1NPC1RAB9ADHFR
SCHEMBL31021642 0.77 L3MBTL1 (0.43) KDM4CL3MBTL1NPC1RAB9ADHFR
SCHEMBL12168828 0.72 ICAM1 (0.43) KDM4CL3MBTL1NPC1RAB9ADHFR
SCHEMBL23388034 0.72 KDM4C (0.41) KDM4CL3MBTL1NPC1RAB9ADHFR
SCHEMBL15280625 0.72 KDM4C (0.41) KDM4CL3MBTL1NPC1RAB9ADHFR
SCHEMBL29749617 0.72 KDM4C (0.41) KDM4CL3MBTL1NPC1RAB9ADHFR
SCHEMBL15639233 0.70 MAPK1 (0.44) KDM4CL3MBTL1NPC1RAB9AICAM1
SCHEMBL15633486 0.70 MAPK1 (0.44) KDM4CL3MBTL1NPC1RAB9AICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550778-B2 Substituted 6-aryl-imidazopyridine and 6-aryl-triazolopyridine carboxamide analogs as negative allosteric modulators of mGluR5 VANDERBILT UNIVERSITY (US) 2017-01-24 US disclosed
US-9550778-B2 Substituted 6-aryl-imidazopyridine and 6-aryl-triazolopyridine carboxamide analogs as negative allosteric modulators of mGluR5 VANDERBILT UNIVERSITY (US) 2017-01-24 US disclosed
US-20160096833-A1 SUBSTITUTED 6-ARYL-IMIDAZOPYRIDINE AND 6-ARYL-TRIAZOLOPYRIDINE CARBOXAMIDE ANALOGS AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR5 VANDERBILT UNIVERSITY 2016-04-07 US disclosed
US-20160096833-A1 SUBSTITUTED 6-ARYL-IMIDAZOPYRIDINE AND 6-ARYL-TRIAZOLOPYRIDINE CARBOXAMIDE ANALOGS AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR5 VANDERBILT UNIVERSITY 2016-04-07 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-20160096833-A1 SUBSTITUTED 6-ARYL-IMIDAZOPYRIDINE AND 6-ARYL-TRIAZOLOPYRIDINE CARBOXAMIDE ANALOGS AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR5 GRM5, GRIK5, GRM2 KDM4C 2085/4885L3MBTL1 3170/4885NPC1 2934/4885

“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.