SCHEMBL553988

SCHEMBL553988

CC(C)c1nc(C(C)C)c(C(C)C)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.39
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
GSK3B P49841 1/20 0.31

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
SCHEMBL554224 0.84 SMPD3 (0.39) SMPD3
SCHEMBL553239 0.84 KDM4E (0.32) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL553498 0.84 KDM4E (0.32) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL554214 0.81 KDM4E (0.30) KDM4EHSD17B10LMNA
SCHEMBL552667 0.81 KDM4E (0.30) KDM4EHSD17B10LMNA
SCHEMBL554190 0.78
SCHEMBL14355982 0.75 KDM4E (0.34) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL798499 0.75 KDM4E (0.34) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL11979453 0.75 SMPD3 (0.39) SMPD3
SCHEMBL553205 0.75 SMPD3 (0.33) SMPD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210214323-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2021-07-15 US disclosed
US-10995078-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2021-05-04 US disclosed
US-20200347025-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2020-11-05 US disclosed
US-10472342-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2019-11-12 US disclosed
US-20190241532-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2019-08-08 US disclosed
CN-109153646-A Pyridine dicarboxamide derivatives as bromine structural domain inhibitor 葛兰素史克知识产权第二有限公司 2019-01-04 CN disclosed
US-20180050997-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FORMA THERAPEUTICS, INC. 2018-02-22 US disclosed
US-20170368032-A1 Imidazole-Based Antimicrobial Agents PROCOMCURE BIOTECH GMBH (AT) 2017-12-28 US disclosed
US-20170340613-A1 Novel Imidazole-Based Heterocyclic Compounds PROCOMCURE BIOTECH GMBH (AT) 2017-11-30 US disclosed
US-20170334887-A1 Imidazole-Based Antimicrobial Agents PROCOMCURE BIOTECH GMBH (AT) 2017-11-23 US disclosed
US-20130078391-A1 Complexes Of Imidazole Ligands AIR PRODUCTS AND CHEMICALS, INC. (US) 2013-03-28 US disclosed
US-8236832-B2 Thiazoles, imidazoles, and pyrazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INC. (US) 2012-08-07 US disclosed
US-20120121806-A1 Complexes Of Imidazole Ligands AIR PRODUCTS AND CHEMICALS, INC. (US) 2012-05-17 US disclosed
US-20120035351-A1 Volatile Imidazoles and Group 2 Imidazole Based Metal Precursors AIR PRODUCTS AND CHEMICALS, INC. (US) 2012-02-09 US disclosed
EP-2371821-A1 Volatile imidazoles and group 2 imidazole based metal precursors Air Products and Chemicals, Inc. (US) 2011-10-05 EP disclosed
US-20090306155-A1 THIAZOLES, IMIDAZOLES, AND PYRAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-10 US disclosed
US-7589214-B2 2-Cyclopentyl-4-(4-phenoxyphenyl)thiazole-5-carboxamide; amidation; oxidation; cyclization; VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-15 US disclosed
US-7507757-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-24 US disclosed
US-7452907-B2 Conformationally constrained analogs useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-18 US disclosed
US-20070298065-A1 2-Cyclopentyl-4-(4-phenoxyphenyl)thiazole-5-carboxamide; amidation; oxidation; cyclization; VERTEX PHARMACEUTICALS INCORPORATED 2007-12-27 US 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 (14 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-20130078391-A1 Complexes Of Imidazole Ligands ICOSLG, CLTC, PICALM SMPD3 4296/4885KDM4E 2146/4885HSD17B10 4568/4885
US-20180050997-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD SMPD3 316/4885KDM4E 4419/4885HSD17B10 140/4885
US-20170334887-A1 Imidazole-Based Antimicrobial Agents TLR5, NISCH, SLC11A2 SMPD3 632/4885KDM4E 2893/4885HSD17B10 3638/4885
US-20200347025-A1 COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD SMPD3 372/4885KDM4E 4280/4885HSD17B10 138/4885
US-20090306155-A1 THIAZOLES, IMIDAZOLES, AND PYRAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K5, MAP3K1, MAP3K20 SMPD3 3187/4885KDM4E 2143/4885HSD17B10 4045/4885
US-10472342-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD SMPD3 372/4885KDM4E 4280/4885HSD17B10 138/4885
US-20120035351-A1 Volatile Imidazoles and Group 2 Imidazole Based Metal Precursors CACNG5, BST2, API5 SMPD3 2782/4885KDM4E 1388/4885HSD17B10 4813/4885
US-20120121806-A1 Complexes Of Imidazole Ligands ICOSLG, CLTC, PICALM SMPD3 4296/4885KDM4E 2146/4885HSD17B10 4568/4885
US-20170368032-A1 Imidazole-Based Antimicrobial Agents TLR5, NISCH, SLC11A2 SMPD3 632/4885KDM4E 2893/4885HSD17B10 3638/4885
US-20190241532-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD SMPD3 316/4885KDM4E 4419/4885HSD17B10 140/4885
US-20170340613-A1 Novel Imidazole-Based Heterocyclic Compounds SLC11A2, MIF, NISCH SMPD3 940/4885KDM4E 2876/4885HSD17B10 1785/4885
US-20210214323-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR INHIBITION OF FASN FASN, FABP1, SCD SMPD3 316/4885KDM4E 4419/4885HSD17B10 140/4885
US-10995078-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD SMPD3 372/4885KDM4E 4280/4885HSD17B10 138/4885
US-20070298065-A1 2-Cyclopentyl-4-(4-phenoxyphenyl)thiazole-5-carboxamide; amidation; oxidation; cyclization; PDXK, PRKACA, PRKACB SMPD3 1383/4885KDM4E 1137/4885HSD17B10 2790/4885

“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.