SCHEMBL5544014

SCHEMBL5544014

Cc1nc(CC(N)=O)cs1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
TP53 P04637 1/20 0.56
POLB P06746 2/20 0.53
LMNA P02545 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MAPT P10636 5/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
HPGD P15428 1/20 0.49
GABRA5 P31644 1/20 0.46
GABRB2 P47870 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SLC12A2 P55011 1/20 0.46
SLC12A5 Q9H2X9 1/20 0.46
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL856450 0.82 GABRA5 (0.61) SMN1; SMN2NPC1RAB9ATDP1TP53
SCHEMBL7795327 0.82 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ATDP1TP53
SCHEMBL17984733 0.81 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ATDP1TP53
SCHEMBL19525943 0.80 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ATDP1TP53
SCHEMBL1128988 0.80 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ATDP1TP53
SCHEMBL12883290 0.79 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ATDP1TP53
SCHEMBL1797901 0.78 GABRA5 (0.72) SMN1; SMN2NPC1RAB9ALMNAMAPT
SCHEMBL2895259 0.78 GABRA5 (0.47) SMN1; SMN2NPC1RAB9ATDP1TP53
SCHEMBL12868364 0.78 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ATDP1TP53
SCHEMBL12158564 0.78 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ATDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2627631-B1 PYRROLIDINONES AS METAP2 INHIBITORS MERCK PATENT GMBH (DE) 2015-12-16 EP claimed
EP-3495363-B1 NITROGEN-CONTAINING CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 RECEPTOR ANTAGONISTIC EFFECT SHIONOGI & CO (JP) 2023-08-23 EP disclosed
EP-2729459-B1 SUBSTITUTED AZAHETEROCYCLES FOR THE TREATMENT OF CANCER MERCK PATENT GMBH (DE) 2018-08-22 EP disclosed
US-9944634-B2 Pyrazolopyridine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2018-04-17 US disclosed
US-9944634-B2 Pyrazolopyridine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2018-04-17 US disclosed
WO-2018019681-A1 PURINE AND 3-DEAZAPURINE ANALOGUES AS CHOLINE KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2018-02-01 WO disclosed
EP-2738170-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-08-30 EP disclosed
US-9199962-B2 Substituted azaheterocycles for the treatment of cancer MERCK PATENT GMBH (DE) 2015-12-01 US disclosed
US-20150291582-A1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2015-10-15 US disclosed
US-20150291582-A1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2015-10-15 US disclosed
US-20140221366-A1 Substituted Azaheterocycles for the Treatment of Cancer MERCK PATENT GMBH (DE) 2014-08-07 US disclosed
US-8580768-B2 Cannabinoid receptor antagonists-inverse agonists useful for treating metabolic disorders, including obesity and diabetes JENRIN DISCOVERY, INC. (US) 2013-11-12 US disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES SHIONOGI & CO., LTD. 2012-08-16 US disclosed
WO-2012068529-A2 CANNABINOID RECEPTOR ANTAGONISTS-INVERSE AGONISTS USEFUL FOR TREATING METABOLIC DISORDERS, INCLUDING OBESITY AND DIABETES JENRIN DISCOVERY (US) 2012-05-24 WO disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
WO-2009102325-A1 IMIDAZOLYL BIPHENYL IMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 WO disclosed
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative SHIONOGI & CO. LTD. (JP) 2008-05-01 US disclosed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 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 (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-20120208813-A1 3-CARBAMOYL-2-PYRIDONE DERIVATIVES CNR2, CNR1, HRH4 SMN1; SMN2 4550/4885NPC1 1299/4885RAB9A 2111/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 SMN1; SMN2 4482/4885NPC1 1516/4885RAB9A 2496/4885
US-20150291582-A1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS SCN5A, KCNH2, CACNA1G SMN1; SMN2 372/4885NPC1 1290/4885RAB9A 2048/4885
US-20140221366-A1 Substituted Azaheterocycles for the Treatment of Cancer CCNH, CCNA1, MYC SMN1; SMN2 3526/4885NPC1 1489/4885RAB9A 1804/4885

“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.