SCHEMBL1268909

SCHEMBL1268909

NC(=O)C1CCc2ccccc2N1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.59
MAPT P10636 2/20 0.53
GAA P10253 1/20 0.53
MTNR1A P48039 3/20 0.49
F2 P00734 2/20 0.46
MASP2 O00187 1/20 0.46
HTR1A P08908 4/20 0.44
HTR2A P28223 4/20 0.44
DRD3 P35462 4/20 0.44
PTK2B Q14289 1/20 0.43
F10 P00742 1/20 0.39
PLG P00747 1/20 0.39
PRSS1 P07477 1/20 0.39
HTR2C P28335 2/20 0.39
DRD2 P14416 1/20 0.39
NPC1 O15118 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL32680077 0.90 MAPT (0.50) SMYD3MAPTGAAMTNR1AF2
SCHEMBL8067762 0.90 MAPT (0.50) SMYD3MAPTGAAMTNR1AF2
SCHEMBL4019694 0.86 SMYD3 (0.58) SMYD3MAPTGAAMTNR1AF2
SCHEMBL444953 0.84 GAA (0.69) SMYD3MAPTGAAMTNR1AF2
SCHEMBL29831598 0.84 GAA (0.69) SMYD3MAPTGAAMTNR1AF2
SCHEMBL1150614 0.84 GAA (0.69) SMYD3MAPTGAAMTNR1AF2
SCHEMBL1531662 0.84 GAA (0.69) SMYD3MAPTGAAMTNR1AF2
SCHEMBL3120548 0.83 SMYD3 (0.56) SMYD3MAPTGAAMTNR1AF2
Hydrochloric Acid SCHEMBL11050093 0.83 GAA (0.67) SMYD3MAPTGAAMTNR1AF2
SCHEMBL6206546 0.83 SMYD3 (0.56) SMYD3MAPTGAAMTNR1AF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024145483-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CANCER AND METHODS OF MAKING AND USING THE SAME HTG MOLECULAR DIAGNOSTICS, INC. (US) 2024-07-04 WO claimed
EP-3191476-A1 TETRAHYDROQUINOLINE DERIVATIVES AS BROMODOMAIN INHIBITORS GlaxoSmithKline Intellectual Property Limited (GB) 2017-07-19 EP claimed
EP-3052492-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 Cancer Research Technology Limited (GB) 2016-08-10 EP claimed
WO-2016038120-A1 TETRAHYDROQUINOLINE DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-03-17 WO claimed
WO-2015049535-A1 FUSED 1,4-DIHYDRODIOXIN DERIVATIVES AS INHIBITORS OF HEAT SHOCK TRANSCRIPTION FACTOR 1 CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-04-09 WO claimed
WO-2014025651-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC. (US) 2014-02-13 WO claimed
EP-2582676-A1 TETRAHYDROQUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2013-04-24 EP claimed
WO-2011159554-A1 TETRAHYDROQUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-12-22 WO claimed
EP-2234485-A1 STABLE LAQUINIMOD PREPARATIONS Teva Pharmaceutical Industries Ltd. (IL) 2010-10-06 EP claimed
EP-2217068-A1 NOVEL sEH INHIBITORS AND THEIR USE GlaxoSmithKline LLC (US) 2010-08-18 EP claimed
US-20090264411-A1 FUSED THIOPHENE DERIVATIVES AS MEK INHIBITORS UCB PHARMA S.A. (BE) 2009-10-22 US claimed
WO-2009082471-A1 STABLE LAQUINIMOD PREPARATIONS TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2009-07-02 WO claimed
WO-2009049154-A1 NOVEL sEH INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-04-16 WO claimed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP claimed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO claimed
CN-119866217-A Agent for restoring metal steady state containing malonic acid or derivative thereof 牛津抗生素(制药)集团股份有限公司 2025-04-22 CN disclosed
WO-2024006956-A9 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-04-11 WO disclosed
WO-2002050067-A2 PHARMACEUTICAL HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 2002-06-27 WO disclosed
EP-1070054-A1 AMINE COMPOUNDS, THEIR PRODUCTION AND THEIR USE AS SOMATOSTATIN RECEPTOR ANTAGONISTS OR AGONISTS Takeda Chemical Industries, Ltd. (JP) 2001-01-24 EP disclosed
WO-1999052875-A1 AMINE COMPOUNDS, THEIR PRODUCTION AND THEIR USE AS SOMATOSTATIN RECEPTOR ANTAGONISTS OR AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-21 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 (1 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-20090264411-A1 FUSED THIOPHENE DERIVATIVES AS MEK INHIBITORS MAPK15, MOK, MAPK14 SMYD3 1909/4885MAPT 4324/4885GAA 4409/4885

“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.