SCHEMBL6936155

SCHEMBL6936155

Cc1nnc(N(C)C(=O)O)s1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
GAA P10253 2/20 0.51
HSD17B10 Q99714 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
TP53 P04637 3/20 0.46
TSHR P16473 1/20 0.46
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 6/20 0.35
ALDH1A1 P00352 4/20 0.35
RAB9A P51151 3/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 2/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 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
SCHEMBL15939755 0.75 CYP3A4 (0.68) LMNAHSD17B10CYP3A4MAPK1SMN1; SMN2
SCHEMBL13584825 0.67 RAB9A (0.39) LMNAGAATP53TSHRSMN1; SMN2
SCHEMBL21303128 0.64 RAB9A (0.55) LMNAGAAHSD17B10L3MBTL1TP53
SCHEMBL9955496 0.64 SLC12A5 (0.49) LMNAGAATSHRSMN1; SMN2KDM4E
SCHEMBL3978058 0.64
SCHEMBL11903628 0.63 SMN1; SMN2 (0.36) LMNAHSD17B10SMN1; SMN2KDM4EALDH1A1
SCHEMBL29067361 0.62 L3MBTL1 (0.42) GAAL3MBTL1TP53SMN1; SMN2ALDH1A1
Lithium SCHEMBL30570038 0.62 L3MBTL1 (0.42) GAAL3MBTL1TP53SMN1; SMN2ALDH1A1
SCHEMBL21222557 0.61 TP53 (0.66) GAAL3MBTL1TP53SMN1; SMN2KDM4E
SCHEMBL11623906 0.60 CYP3A4 (0.37) LMNAGAAHSD17B10TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968324-B1 SUBSTITUTED PYRIDAZINONE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2018-04-18 EP disclosed
US-9353104-B2 Substituted pyridizinone derivatives as PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-31 US disclosed
EP-2748151-B1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2016-03-16 EP disclosed
US-20160016947-A1 SUBSTITUTED PYRIDIZINONE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-01-21 US disclosed
EP-2968324-A1 SUBSTITUTED PYRIDIZINONE DERIVATIVES AS PDE10 INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-01-20 EP disclosed
US-9062059-B2 Pyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-06-23 US disclosed
WO-2014150114-A1 SUBSTITUTED PYRIDIZINONE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-25 WO disclosed
WO-2014139150-A1 SUBSTITUTED PYRIDIZINONE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-18 WO disclosed
US-20140228368-A1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US disclosed
EP-2748151-A1 PYRIMIDINE PDE10 INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-07-02 EP disclosed
WO-2013028590-A1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-02-28 WO disclosed
EP-1296938-A1 CYCLOPENTYL-SUBSTITUTED GLUTARAMIDE DERIVATIVES AS INHIBITORS OF NEUTRAL ENDOPEPTIDASE Pfizer Limited (GB) 2003-04-02 EP disclosed
US-20020052370-A1 Cyclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase PFIZER, INC. 2002-05-02 US disclosed
WO-2002002513-A1 CYCLOPENTYL-SUBSTITUTED GLUTARAMIDE DERIVATIVES AS INHIBITORS OF NEUTRAL ENDOPEPTIDASE PFIZER LIMITED (GB) 2002-01-10 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 (3 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-20140228368-A1 PYRIMIDINE PDE10 INHIBITORS PDE12, PDE10A, PDE11A LMNA 4774/4885GAA 222/4885HSD17B10 296/4885
US-20020052370-A1 Cyclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase ENGASE, ENPEP, CPN1 LMNA 2711/4885GAA 26/4885HSD17B10 839/4885
US-20160016947-A1 SUBSTITUTED PYRIDIZINONE DERIVATIVES AS PDE10 INHIBITORS PDE12, PDE5A, PDE10A LMNA 4012/4885GAA 444/4885HSD17B10 89/4885

“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.