SCHEMBL2954564

SCHEMBL2954564

C/C(=N\O)c1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 2/20 0.46
GAA P10253 6/20 0.43
MAPT P10636 4/20 0.43
NAPRT Q6XQN6 1/20 0.42
GFER P55789 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL2954565 1.00 L3MBTL1 (0.52) L3MBTL1KDM4EALDH1A1KMT2AMEN1
SCHEMBL11482231 1.00 L3MBTL1 (0.52) L3MBTL1KDM4EALDH1A1KMT2AMEN1
SCHEMBL8308938 0.87 CYP17A1 (0.46) L3MBTL1KDM4EMAPTSMN1; SMN2
SCHEMBL27974672 0.82 L3MBTL1 (0.53) L3MBTL1KDM4EALDH1A1KMT2AMEN1
SCHEMBL1253507 0.82 L3MBTL1 (0.53) L3MBTL1KDM4EALDH1A1KMT2AMEN1
SCHEMBL29103210 0.82 KDM1A (0.51) L3MBTL1KDM4EALDH1A1KMT2AMEN1
SCHEMBL12360950 0.81 CA9 (0.52) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL14298196 0.81 CA9 (0.52) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL15452358 0.80 L3MBTL1 (0.52) L3MBTL1KDM4EALDH1A1KMT2AMEN1
SCHEMBL5326497 0.78 L3MBTL1 (0.50) L3MBTL1KDM4EALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3390413-B1 ANTIVIRAL OXIME PHOSPHORAMIDE COMPOUNDS MERCK SHARP & DOHME (US) 2020-08-19 EP disclosed
US-10450335-B2 Antiviral oxime phosphoramide compounds MERCK SHARP & DOHME CORP. (US) 2019-10-22 US disclosed
US-20180362563-A1 ANTIVIRAL OXIME PHOSPHORAMIDE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2018-12-20 US disclosed
EP-3390413-A1 ANTIVIRAL OXIME PHOSPHORAMIDE COMPOUNDS Merck Sharp & Dohme Corp. (US) 2018-10-24 EP disclosed
WO-2017106069-A1 ANTIVIRAL OXIME PHOSPHORAMIDE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-06-22 WO disclosed
US-7763623-B2 Heterocycles as nicotinic acid receptor agonists for the treatment of dyslipidemia SCHERING CORPORATION (US) 2010-07-27 US disclosed
WO-2009012375-A2 SQUARATE KINASE INHIBITORS WYETH (US) 2009-01-22 WO disclosed
EP-1976854-A2 HETEROCYCLES AS NICOTINIC ACID RECEPTOR AGONISTS FOR THE TREATMENT OF DYYSLIPIDEMIA Shering Corporation (US) 2008-10-08 EP disclosed
US-7361669-B2 Compositions and method for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-04-22 US disclosed
WO-2007087204-A2 HETEROCYCLES AS NICOTINIC ACID RECEPTOR AGONISTS FOR THE TREATMENT OF DYYSLIPIDEMIA SCHERING CORPOORATION (US) 2007-08-02 WO disclosed
US-20070173495-A1 Heterocycles as nicotinic acid receptor agonists for the treatment of dyslipidemia SCHERING CORPORATION 2007-07-26 US disclosed
US-20040157861-A1 Compositions and methods for inhibiting TGF-beta MILLENNIUM PHARMACEUTICALS, INC. 2004-08-12 US disclosed
EP-0507650-B1 Piperidine derivatives, their preparation and their therapeutic application SYNTHELABO (FR) 1996-05-22 EP disclosed
US-5280030-A Containing 1-benz(oxazole, thiazole or imidazole)-4-imidazole piperidine compound SYNTHELABO (FR) 1994-01-18 US disclosed
EP-0271798-B1 O-SUBSTITUTED TETRAHYDROPYRIDINE OXIME CHOLINERGIC AGENTS WARNER-LAMBERT COMPANY (US) 1993-04-07 EP disclosed
EP-0507650-A1 Piperidine derivatives, their preparation and their therapeutic application SYNTHELABO (FR) 1992-10-07 EP disclosed
US-4786648-A ANALGESIC WARNER-LAMBERT COMPANY (US) 1988-11-22 US disclosed
EP-0271798-A2 O-Substituted tetrahydropyridine oxime cholinergic agents WARNER-LAMBERT COMPANY (US) 1988-06-22 EP 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-20070173495-A1 Heterocycles as nicotinic acid receptor agonists for the treatment of dyslipidemia GPR119, HCAR1, LDLR L3MBTL1 4025/4885KDM4E 4538/4885ALDH1A1 2152/4885
US-20180362563-A1 ANTIVIRAL OXIME PHOSPHORAMIDE COMPOUNDS TYMP, MTAP, PNP L3MBTL1 3514/4885KDM4E 641/4885ALDH1A1 2355/4885
US-10450335-B2 Antiviral oxime phosphoramide compounds TYMP, MTAP, POLR2E L3MBTL1 3094/4885KDM4E 652/4885ALDH1A1 2251/4885
US-20040157861-A1 Compositions and methods for inhibiting TGF-beta TGFB1, TGFB2, TGFBR1 L3MBTL1 1656/4885KDM4E 2127/4885ALDH1A1 2263/4885

“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.