SCHEMBL4472311

SCHEMBL4472311

CC(C)COc1cc(F)ccc1NC(=O)C(=O)Nc1ncc(Sc2ccccn2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 4/20 0.39
GCK P35557 3/20 0.37
NTRK1 P04629 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MYC P01106 1/20 0.35
MAX P61244 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
P2RY1 P47900 1/20 0.35
PKM P14618 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
AGTR1 P30556 1/20 0.34
OPRK1 P41145 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CCNE1 P24864 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
SCHEMBL1341387 0.92 ALDH1A1 (0.39) GRM4GCKNTRK1SMN1; SMN2ALDH1A1
SCHEMBL1342846 0.91 ALDH1A1 (0.41) GRM4GCKNTRK1SMN1; SMN2ALDH1A1
SCHEMBL1340627 0.90 NTRK1 (0.39) GRM4GCKNTRK1SMN1; SMN2ALDH1A1
SCHEMBL1340580 0.85 NPC1 (0.42) GRM4GCKNTRK1SMN1; SMN2ALDH1A1
SCHEMBL10002667 0.84 GRM4 (0.36) GRM4GCKNTRK1SMN1; SMN2ALDH1A1
SCHEMBL4466128 0.84 MYC (0.35) GRM4GCKMYCMAXMKNK2
SCHEMBL1341150 0.83 PKM (0.41) GRM4GCKNTRK1SMN1; SMN2ALDH1A1
SCHEMBL1342904 0.83 SMN1; SMN2 (0.42) GRM4GCKNTRK1SMN1; SMN2ALDH1A1
SCHEMBL1342597 0.83 ALDH1A1 (0.41) GRM4GCKNTRK1SMN1; SMN2ALDH1A1
SCHEMBL1343525 0.82 GCK (0.44) GRM4GCKSMN1; SMN2ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE45670-E1 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2015-09-15 US disclosed
EP-2471533-A1 Aryl carbonyl derivatives as therapeutic agents Novo Nordisk A/S (DK) 2012-07-04 EP disclosed
US-20110301158-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2011-12-08 US disclosed
US-7541373-B2 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2009-06-02 US disclosed
US-7384967-B2 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2008-06-10 US disclosed
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK A/S (DK) 2008-05-22 US disclosed
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2006-08-17 US disclosed
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-06-24 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 (4 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-20110301158-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS GCK, GCKR, PDK2 GRM4 2551/4885GCK 1/4885NTRK1 2877/4885
US-20060183783-A1 Aryl carbonyl derivatives as therapeutic agents GCK, PDK3, PDK4 GRM4 3123/4885GCK 1/4885NTRK1 2954/4885
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 GRM4 2551/4885GCK 1/4885NTRK1 2877/4885
US-20080119454-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 GRM4 2551/4885GCK 1/4885NTRK1 2877/4885

“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.