SCHEMBL318866

SCHEMBL318866

Cc1cc2cc(S(C)(=O)=O)ccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.52
KEAP1 Q14145 1/20 0.52
MAPT P10636 6/20 0.51
ALDH1A1 P00352 3/20 0.51
AXL P30530 2/20 0.49
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAOA P21397 5/20 0.46
MAOB P27338 5/20 0.46
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AURKA O14965 1/20 0.44
DYRK3 O43781 1/20 0.44
ROCK2 O75116 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 1/20 0.44
ABL1 P00519 1/20 0.44
EGFR P00533 1/20 0.44
INSR P06213 1/20 0.44
FYN P06241 1/20 0.44

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
SCHEMBL5107341 0.85 NPBWR1 (0.45) MAPTALDH1A1NPBWR1PTGS2CDK5
SCHEMBL9818493 0.84 MAOB (0.61) CYP2A6KEAP1MAPTALDH1A1AXL
SCHEMBL16136141 0.84 MAPT (0.50) CYP2A6KEAP1MAPTALDH1A1AXL
SCHEMBL27814996 0.84 CYP2A6 (0.55) CYP2A6KEAP1MAPTALDH1A1AXL
SCHEMBL26262515 0.81 NPBWR1 (0.39) MAPTALDH1A1SMN1; SMN2NPBWR1PTGS2
SCHEMBL11369615 0.81 TAS2R14 (0.57) CYP2A6KEAP1MAPTALDH1A1AXL
SCHEMBL5798049 0.81 MAPT (0.54) CYP2A6KEAP1MAPTALDH1A1AXL
SCHEMBL28946903 0.80 PTGS2 (0.43) LMNANPBWR1PTGS2CDK5CDK5R1
SCHEMBL27892836 0.80 NPBWR1 (0.41) NPBWR1PTGS2CDK5CDK5R1
SCHEMBL7476113 0.77 MMP2 (0.59) CYP2A6KEAP1MAPTALDH1A1AXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF ARBUTUS BIOPHARMA CORP (CA) 2023-10-05 US disclosed
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF ARBUTUS BIOPHARMA CORP (CA) 2023-10-05 US disclosed
CN-109071533-B Halogenated allylamine indole and azaindole derivative inhibitors of lysyl oxidase and uses thereof 法玛西斯有限公司 2021-05-25 CN disclosed
US-20200317666-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2020-10-08 US disclosed
US-10717733-B2 Haloallylamine indole and azaindole derivative inhibitors of lysyl oxidases and uses thereof PHARMAXIS LTD. (AU) 2020-07-21 US disclosed
US-20190040007-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2019-02-07 US disclosed
CN-109071533-A Halogenated allylamine indoles and 7-azaindole derivatives inhibitor of lysyloxidase and application thereof 法玛西斯有限公司 2018-12-21 CN disclosed
US-20120245344-A1 GPR119 AGONIST NIPPON CHEMIPHAR CO., LTD. (JP) 2012-09-27 US disclosed
EP-2474540-A1 GPR119 AGONIST Nippon Chemiphar Co., Ltd. (JP) 2012-07-11 EP disclosed
US-8093278-B2 Substituted indoles ASTRAZENECA AB (SE) 2012-01-10 US disclosed
US-20100210685-A1 Novel Substituted Indoles ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-7754735-B2 Substituted indoles ASTRAZENECA AB (SE) 2010-07-13 US disclosed
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) ASTRAZENECA AB (SE) 2005-10-06 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 (7 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-20100210685-A1 Novel Substituted Indoles IDO1, IDO2, TPH1 CYP2A6 181/4885KEAP1 410/4885MAPT 2642/4885
US-10717733-B2 Haloallylamine indole and azaindole derivative inhibitors of lysyl oxidases and uses thereof IDO1, IDO2, INMT CYP2A6 1218/4885KEAP1 785/4885MAPT 3415/4885
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) HRH2, HRH1, HCAR2 CYP2A6 1761/4885KEAP1 739/4885MAPT 4719/4885
US-20190040007-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF IDO1, IDO2, INMT CYP2A6 1218/4885KEAP1 785/4885MAPT 3415/4885
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF NSD3, PML, NSD1 CYP2A6 2579/4885KEAP1 1700/4885MAPT 484/4885
US-20120245344-A1 GPR119 AGONIST GPR119, GPR4, GPR55 CYP2A6 1138/4885KEAP1 2302/4885MAPT 4861/4885
US-20200317666-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF IDO1, IDO2, INMT CYP2A6 1218/4885KEAP1 785/4885MAPT 3415/4885

“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.