SCHEMBL212527

SCHEMBL212527

CN(C)CCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.64
FTO Q9C0B1 1/20 0.64
ACHE P22303 1/20 0.58
ALOX5 P09917 1/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA4 P22748 1/20 0.55
CA9 Q16790 1/20 0.55
CHRM2 P08172 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
DRD1 P21728 1/20 0.54
PTGS1 P23219 1/20 0.54
SLC6A4 P31645 1/20 0.54
DRD3 P35462 1/20 0.54

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
Hydrochloric Acid SCHEMBL3974443 0.99 PABPC1 (0.62) PABPC1FTOACHEALOX5CA12
Acetic Acid SCHEMBL25299219 0.94 PABPC1 (0.58) PABPC1FTOACHE
Acetic Acid SCHEMBL30498942 0.94 PABPC1 (0.58) PABPC1FTOACHE
SCHEMBL8090142 0.84 ACHE (0.62) ACHEALOX5CA12CA1CA2
SCHEMBL3748943 0.82 PABPC1 (0.57) PABPC1FTOACHECHRM2HTR1A
SCHEMBL21774745 0.82 CASP1 (0.62) PABPC1FTOACHECA12CA1
SCHEMBL7712243 0.82 FTO (0.81) PABPC1FTOCA12CA1CA2
SCHEMBL1569306 0.81 ACHE (0.60) ACHEALOX5CA12CA1CA2
SCHEMBL3586091 0.81 POLB (0.62) ACHEALOX5CA12CA1CA2
SCHEMBL30070354 0.80 ALOX5 (0.62) ACHEALOX5CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023134582-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF 上海立森印迹医药技术有限公司 2023-07-20 WO disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 US disclosed
EP-1438046-A4 THIAZOLE BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING CELL PROLIFERATION, AND METHODS FOR THEIR USE AGOURON PHARMA (US) 2004-10-20 EP disclosed
EP-1438046-A2 THIAZOLE BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING CELL PROLIFERATION, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2004-07-21 EP disclosed
US-6720346-B2 (4-AMINOTHIAZOL-2-YLAMINO)-BENZAMIDE COMPOUNDS; PROTEIN KINASE INHIBITORS; CANCER; AUTOIMMUNE, VIRAL, FUNGAL, NEURODEGENERATIVE, AND CARDIOVASCULAR DISORDERS AGOURON PHARMACEUTICALS, INC. 2004-04-13 US disclosed
US-20030225147-A1 Thiazole benzamide derivatives and pharmaceutical compositions for inhibiting cell proliferation, and methods for their use AGOURON PHARMACEUTICALS INC. 2003-12-04 US disclosed
WO-2003004467-A2 THIAZOLE BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING CELL PROLIFERATION, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2003-01-16 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 (3 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-20030225147-A1 Thiazole benzamide derivatives and pharmaceutical compositions for inhibiting cell proliferation, and methods for their use TK1, MKI67, CDKN1A PABPC1 2340/4885FTO 3637/4885ACHE 3858/4885
US-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 PABPC1 1906/4885FTO 4059/4885ACHE 3428/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 PABPC1 1826/4885FTO 4263/4885ACHE 3542/4885

“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.