SCHEMBL607557

SCHEMBL607557

NC(=O)c1ccccc1-n1cccc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
LMNA P02545 4/20 0.61
GAA P10253 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
NPC1 O15118 1/20 0.55
CYP2C19 P33261 2/20 0.54
CYP2C9 P11712 1/20 0.54
KDM4E B2RXH2 2/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
METAP2 P50579 1/20 0.45
ALOX12 P18054 1/20 0.44
BCAT2 O15382 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL12822014 0.81 ALDH1A1 (0.49) ALDH1A1LMNAGAAL3MBTL1NPC1
SCHEMBL5789460 0.81 ALDH1A1 (0.49) ALDH1A1LMNAGAAL3MBTL1NPC1
SCHEMBL29671348 0.81 ALDH1A1 (0.61) ALDH1A1LMNAGAAL3MBTL1CYP2C19
SCHEMBL228778 0.81 ALDH1A1 (0.61) ALDH1A1LMNAGAAL3MBTL1CYP2C19
SCHEMBL5785069 0.81 ALDH1A1 (0.49) ALDH1A1LMNAGAAL3MBTL1NPC1
SCHEMBL15157469 0.80 NPC1 (0.51) ALDH1A1LMNAGAAL3MBTL1NPC1
SCHEMBL7825774 0.80 LMNA (0.57) ALDH1A1LMNAGAAL3MBTL1CYP2C19
Lithium SCHEMBL31310856 0.79 ALDH1A1 (0.59) ALDH1A1LMNAGAAL3MBTL1CYP2C19
SCHEMBL5859752 0.79 LMNA (0.61) ALDH1A1LMNAGAAL3MBTL1CYP2C19
SCHEMBL702149 0.79 ALDH1A1 (0.59) ALDH1A1LMNAGAAL3MBTL1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023088285-A1 SMALL MOLECULE INHIBITOR AGAINST NASOPHARYNGEAL CARCINOMA, PREPARATION METHOD FOR COMPOUND AND APPLICATION THEREOF 深圳湾实验室 2023-05-25 WO claimed
CN-116135850-A Preparation method and application of small molecule inhibitor and compound for resisting nasopharyngeal carcinoma 深圳湾实验室 2023-05-19 CN claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
CN-101410387-B Pyridyl-and pyrimidinyl-substituted pyrrole-, thiophene-and furan-derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL 2013-12-18 CN claimed
EP-2205576-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2010-07-14 EP claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
WO-2009050220-A1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 WO claimed
WO-2009047558-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-04-16 WO claimed
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
WO-2002028353-A2 PHOSPHATE TRANSPORT INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-11 WO claimed
WO-2023088285-A1 SMALL MOLECULE INHIBITOR AGAINST NASOPHARYNGEAL CARCINOMA, PREPARATION METHOD FOR COMPOUND AND APPLICATION THEREOF 深圳湾实验室 2023-05-25 WO disclosed
CN-116135850-A Preparation method and application of small molecule inhibitor and compound for resisting nasopharyngeal carcinoma 深圳湾实验室 2023-05-19 CN disclosed
US-11242317-B2 EBNA1 inhibitors and their method of use THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2022-02-08 US disclosed
WO-2006076202-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTORS LIGANDS EXELIXIS, INC. (US) 2006-07-20 WO disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 US disclosed
WO-2002028353-A2 PHOSPHATE TRANSPORT INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-11 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 (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-11242317-B2 EBNA1 inhibitors and their method of use EBNA1BP2, MLLT1, PML ALDH1A1 3442/4885LMNA 649/4885GAA 1541/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 ALDH1A1 3589/4885LMNA 3896/4885GAA 4722/4885

“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.