SCHEMBL6181050

SCHEMBL6181050

CC(C)(C)c1cc(O)nc(C(C)(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ ATP2A2 P16615 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ATP2A3 Q93084 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GABRA1 P14867 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30

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
SCHEMBL1221655 0.85 ALDH1A1 (0.38) HSD17B10KDM4EALDH1A1CYP1A2MAPT
SCHEMBL601813 0.85 HSP90AA1 (0.37) —
SCHEMBL173244 0.83 HMGCR (0.46) HMGCRHSD17B10KDM4E
SCHEMBL14701671 0.79 HSD17B10 (0.35) HSD17B10KDM4EALDH1A1CYP1A2MAPT
SCHEMBL5219701 0.77 ALDH1A1 (0.33) KDM4EALDH1A1CYP1A2MAPTALOX15
SCHEMBL2719104 0.77 HSD17B10 (0.34) HSD17B10KDM4EALDH1A1CYP1A2MAPT
SCHEMBL2877787 0.76 MEN1 (0.33) HSD17B10KDM4EALDH1A1CYP1A2MAPT
SCHEMBL3188969 0.76 HSD17B10 (0.55) HSD17B10KDM4EMAPT
SCHEMBL12257766 0.74 KDM4E (0.39) HMGCRHSD17B10KDM4EALDH1A1CYP1A2
SCHEMBL18701490 0.73 ALDH1A1 (0.43) HSD17B10KDM4EALDH1A1CYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2800745-B1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORY, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2020-02-12 — — EP disclosed
US-9815851-B2 Pyrrolo carboxamides as modulators of orphan nuclear receptor RAR-related orphan receptor-gamma (RORγ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune diseases PHENEX PHARMACEUTICALS AG (DE) 2017-11-14 — — US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 — — US disclosed
US-20140349987-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2014-11-27 — — US disclosed
US-7803821-B2 N-cyclopropyl-N-[(3,4-dimethoxypyridin-2-yl)methyl]-5-fluoro-1,3-dimethyl-1H-pyrazole-4-carboxamide; control of phytopathogenic fungi of plants BAYER CROPSCIENCE SA (FR) 2010-09-28 — — US disclosed
US-20090270461-A1 Fungicide n-cycloalkyl-carboxamide, thiocarboxamide and n-substituted-carboximidamide derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-10-29 — — US disclosed
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 — — US disclosed
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 — — US disclosed
WO-2007064553-A2 THIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-07 — — WO disclosed
EP-1484330-B1 Triazole compouds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO KG (DE) 2005-10-26 — — EP disclosed
US-6919342-B2 Triazole compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2005-07-19 — — US disclosed
US-20040259882-A1 Triazole compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-12-23 — — US disclosed
WO-2004108706-A1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2004-12-16 — — WO disclosed
EP-1484330-A1 Triazole compouds suitable for treating disorders that respond to modulation of the dopamine D3 receptor Abbott GmbH & Co. KG (DE) 2004-12-08 — — EP disclosed
WO-2003002543-A1 PYRIMIDINOXYALKYLPIPERAZINES AND THEIR THERAPEUTIC USE ABBOTT LABORATORIES (US) 2003-01-09 — — 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 (5 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-20140349987-A1 PYRROLO CARBOXAMIDES AS MODULATORS OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORy, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES RORA, RORB, RORC HMGCR 2294/4885HSD17B10 1823/4885KDM4E 2519/4885
US-20040259882-A1 Triazole compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor DRD3, SLC6A3, DRD2 HMGCR 1964/4885HSD17B10 1281/4885KDM4E 3700/4885
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CX3CR1 HMGCR 2026/4885HSD17B10 2049/4885KDM4E 4624/4885
US-20090270461-A1 Fungicide n-cycloalkyl-carboxamide, thiocarboxamide and n-substituted-carboximidamide derivatives NRDC, CBR3, NR2C2 HMGCR 1694/4885HSD17B10 1633/4885KDM4E 2991/4885
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR HMGCR 522/4885HSD17B10 248/4885KDM4E 2294/4885

“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.

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