SCHEMBL1068632

SCHEMBL1068632

COC(C(N)=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 6/20 0.51
GAA P10253 2/20 0.51
L3MBTL1 Q9Y468 4/20 0.50
LMNA P02545 2/20 0.47
PKM P14618 2/20 0.47
KDM4E B2RXH2 1/20 0.47
RECQL P46063 1/20 0.46
CYP3A4 P08684 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
RAB9A P51151 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 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
SCHEMBL11903287 1.00 KMT2A (0.57) KMT2ASMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL8476179 1.00 KMT2A (0.57) KMT2ASMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL1815681 0.89 PTGS2 (0.50) KMT2ASMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL9539620 0.83 ALDH1A1 (0.54) KMT2ASMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL155984 0.83 ALDH1A1 (0.54) KMT2ASMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL103235 0.83 ALDH1A1 (0.54) KMT2ASMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL104518 0.83 ALDH1A1 (0.54) KMT2ASMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL5009753 0.82 KMT2A (0.49) KMT2ASMN1; SMN2ALDH1A1GAAL3MBTL1
Quinoline SCHEMBL27388890 0.82 ALDH1A1 (0.47) KMT2ASMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL4280687 0.82 ESR1 (0.42) KMT2ASMN1; SMN2LMNACYP3A4CYP1A2

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 122 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108349967-B 1,3, 4-thiadiazole compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2022-02-15 CN claimed
EP-2983473-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS Mountain Llc (US) 2016-02-17 EP claimed
WO-2014144130-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC (US) 2014-09-18 WO claimed
EP-1962830-B1 AZAINDOLE INHIBITORS OF AURORA KINASES GLAXOSMITHKLINE LLC (US) 2013-03-27 EP claimed
US-7563910-B2 Heterocyclic cannabinoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2009-07-21 US claimed
EP-1749002-B1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY HOFFMANN LA ROCHE (CH) 2009-05-27 EP claimed
US-7495102-B2 Azaindole inhibitors of aurora kinases SMITHKLINE BEECHAM CORPORATION (US) 2009-02-24 US claimed
EP-1962830-A2 AZAINDOLE INHIBITORS OF AURORA KINASES SmithKline Beecham Corporation (US) 2008-09-03 EP claimed
US-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES SMITHKLINE BEECHAM CORPORATION 2008-04-03 US claimed
WO-2007076348-A2 AZAINDOLE INHIBITORS OF AURORA KINASES SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO claimed
EP-1749002-A1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY F.HOFFMANN-LA ROCHE AG (CH) 2007-02-07 EP claimed
WO-2005108393-A1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY F. HOFFMANN-LA ROCHE AG (CH) 2005-11-17 WO claimed
US-20050250769-A1 Heterocyclic cannabinoid receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 US claimed
WO-2003027064-A1 SIMPLIFIED RESINIFERATOXIN ANALOGUES AS VANILLOID RECEPTOR AGONIST SHOWING EXCELLENT ANALGESIC ACTIVITY AND THE PHARMACEUTICAL CO MPOSITIONS CONTAINING THE SAME DIGITAL BIOTECH CO. LTD,. (KR) 2003-04-03 WO claimed
WO-1997023508-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-07-03 WO claimed
CN-119264128-A Thiadiazole and pyridazine parent nucleus compound, preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2025-01-07 CN disclosed
CN-115785465-B Multi-responsiveness polarized light pigment particle and preparation method and application thereof 现代纺织技术创新中心(鉴湖实验室) 2023-08-18 CN disclosed
EP-0206609-A1 Compounds and compositions having anti-inflammatory and analgesic activity THE PROCTER & GAMBLE COMPANY (US) 1986-12-30 EP disclosed
EP-0064964-B1 THERAPEUTICALLY USEFUL 1-ALKYL-2-AMINOTETRALIN DERIVATIVES Astra Läkemedel Aktiebolag (SE) 1984-08-08 EP disclosed
EP-0041488-A1 Therapeutically useful tetralin derivatives Arvidsson, Folke Lars-Erik (SE) 1981-12-09 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 (2 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-20080081808-A1 AZAINDOLE INHIBITORS OF AURORA KINASES AURKA, AURKC, AURKB KMT2A 105/4885SMN1; SMN2 3558/4885ALDH1A1 1793/4885
US-20050250769-A1 Heterocyclic cannabinoid receptor antagonists CNR1, CNR2, GPR18 KMT2A 3110/4885SMN1; SMN2 3964/4885ALDH1A1 1201/4885

“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.