SCHEMBL3301559

SCHEMBL3301559

CC(C)NC(=O)COCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
PTPRC P08575 1/20 0.50
PTPN1 P18031 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
MAPK1 P28482 1/20 0.48
CSNK1D P48730 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
NAMPT P43490 1/20 0.46
RAB9A P51151 1/20 0.46
TSHR P16473 2/20 0.45

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
SCHEMBL28447659 0.86 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL12376670 0.84 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL5099185 0.82 MME (0.54) ALDH1A1PTPRCPTPN1
SCHEMBL12848458 0.82 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2
SCHEMBL5099195 0.82 MME (0.54) ALDH1A1PTPRCPTPN1
SCHEMBL8247495 0.81 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2
SCHEMBL8003960 0.81 CSNK1D (0.50) ALDH1A1PTPRCPTPN1SMN1; SMN2CSNK1D
SCHEMBL3301528 0.80 TSHR (0.45) ALDH1A1NPC1MAPTTSHR
SCHEMBL9417473 0.80 GPR34 (0.62)
SCHEMBL6963806 0.80 ATM (0.51) PTPRCPTPN1SMN1; SMN2CSNK1DADORA3

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
US-11224224-B2 Thiobenzoimidazole as fungicides REDAG CROP PROTECTION LTD. (GB) 2022-01-18 US disclosed
US-20210206744-A1 BENZIMIDAZOLE COMPOUNDS AS AGRICULTURAL CHEMICALS REDAG CROP PROT LTD (GB) 2021-07-08 US disclosed
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE GAUDINO JOHN 2011-03-03 US disclosed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-20100105683-A1 COMPOUNDS USEFUL FOR INHIBITING CHK1 KEEGAN KATHLEEN S 2010-04-29 US disclosed
US-20100099725-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY 2010-04-22 US disclosed
US-20100099725-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY 2010-04-22 US disclosed
US-20100099725-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY 2010-04-22 US disclosed
CN-101616900-A Peroxisome proliferator activated receptor modulators LILLY CO ELI 2009-12-30 CN disclosed
EP-2129667-A2 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2009-12-09 EP disclosed
US-7608618-B2 Urea or thiourea substituted 1,4-pyrazine compounds useful as anti-cancer agents and for inhibiting Chk1 ICOS CORPORATION (US) 2009-10-27 US disclosed
WO-2008103574-A2 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2008-08-28 WO disclosed
WO-2008103574-A2 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2008-08-28 WO disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US disclosed
WO-2007146824-A2 QUINOLINE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-12-21 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 (6 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-20100105683-A1 COMPOUNDS USEFUL FOR INHIBITING CHK1 CHEK1, PCNA, CHEK2 ALDH1A1 3047/4885PTPRC 3253/4885PTPN1 4470/4885
US-11224224-B2 Thiobenzoimidazole as fungicides CYP1B1, CYP51A1, CYP1A2 ALDH1A1 280/4885PTPRC 732/4885PTPN1 220/4885
US-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 ALDH1A1 2989/4885PTPRC 3258/4885PTPN1 3783/4885
US-20210206744-A1 BENZIMIDAZOLE COMPOUNDS AS AGRICULTURAL CHEMICALS BRI3BP, CYP3A4, CYP3A5 ALDH1A1 420/4885PTPRC 2295/4885PTPN1 4311/4885
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE TK1, ABL1, ROR1 ALDH1A1 1526/4885PTPRC 1313/4885PTPN1 522/4885
US-20100099725-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS PPARA, PPARG, PPARD ALDH1A1 1161/4885PTPRC 1067/4885PTPN1 1946/4885

“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.