SCHEMBL2144067

SCHEMBL2144067

[CH]=Cc1c[nH]c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.64
▸ IMPDH2 P12268 1/20 0.64
▸ HPGD P15428 3/20 0.58
▸ HTT P42858 1/20 0.58
▸ APP P05067 1/20 0.53
▸ SENP7 Q9BQF6 1/20 0.50
▸ MAPT P10636 5/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ LMNA P02545 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ PTGS2 P35354 2/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ HSP90AA1 P07900 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49

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
SCHEMBL13759052 0.83 CYP2A6 (0.64) CYP2A6IMPDH2HPGDHTTAPP
SCHEMBL10489040 0.82 CYP2A6 (0.69) CYP2A6IMPDH2HPGDHTTAPP
SCHEMBL27821745 0.82 CYP2A6 (0.69) CYP2A6IMPDH2HPGDHTTAPP
3-Formylindole SCHEMBL38654556 0.78 CYP2A6 (1.00) CYP2A6IMPDH2HPGDHTTAPP
3-Formylindole SCHEMBL30782674 0.78 CYP2A6 (1.00) CYP2A6IMPDH2HPGDHTTAPP
SCHEMBL14318134 0.78 CYP2A6 (0.64) CYP2A6IMPDH2HPGDHTTAPP
3-Formylindole SCHEMBL30786737 0.78 CYP2A6 (1.00) CYP2A6IMPDH2HPGDHTTAPP
SCHEMBL79559 0.78 CYP2A6 (0.64) CYP2A6IMPDH2HPGDHTTAPP
3-Formylindole SCHEMBL19180195 0.78 CYP2A6 (0.70) CYP2A6IMPDH2HPGDHTTAPP
3-Formylindole SCHEMBL56373 0.78 CYP2A6 (1.00) CYP2A6IMPDH2HPGDHTTAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110444674-A Organic light emitting apparatus and its manufacturing method SPRING FOUNDATION OF NATIONAL CHIAO TUNG UNIV 2019-11-12 — — CN claimed
US-20110301217-A1 Selective Glycosidase Inhibitors and Uses Thereof SIMON FRASER UNIVERSITY (CA) 2011-12-08 — — US claimed
CN-102200514-A Method for analyzing sulphydryl amino acid by colorimetric detection LANZHOU CHEM PHYS INST 2011-09-28 — — CN claimed
EP-2344452-A1 SELECTIVE GLYCOSIDASE INHIBITORS AND USES THEREOF Simon Fraser University (CA) 2011-07-20 — — EP claimed
WO-2010037207-A1 SELECTIVE GLYCOSIDASE INHIBITORS AND USES THEREOF SIMON FRASER UNIVERSITY (CA) 2010-04-08 — — WO claimed
CN-115745898-A Aromatic acrylamide-triazole compound, and preparation method and application thereof 许昌学院 2023-03-07 — — CN disclosed
CN-108309977-B Application of indole ethylene substituted quinoline derivative in preparation of drug-resistant bacteria resistant drugs 广东工业大学 2020-08-11 — — CN disclosed
CN-110444674-A Organic light emitting apparatus and its manufacturing method SPRING FOUNDATION OF NATIONAL CHIAO TUNG UNIV 2019-11-12 — — CN disclosed
CN-107311977-A A kind of indoles ethylene compounds and its preparation method and application 广东工业大学 2017-11-03 — — CN disclosed
US-20110301217-A1 Selective Glycosidase Inhibitors and Uses Thereof SIMON FRASER UNIVERSITY (CA) 2011-12-08 — — US disclosed
CN-102200514-A Method for analyzing sulphydryl amino acid by colorimetric detection LANZHOU CHEM PHYS INST 2011-09-28 — — CN disclosed
EP-2344452-A1 SELECTIVE GLYCOSIDASE INHIBITORS AND USES THEREOF Simon Fraser University (CA) 2011-07-20 — — EP disclosed
WO-2010037207-A1 SELECTIVE GLYCOSIDASE INHIBITORS AND USES THEREOF SIMON FRASER UNIVERSITY (CA) 2010-04-08 — — WO disclosed
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGE (IT) 2008-09-11 — — US disclosed
CN-101107220-A Amide derivatives as inhibitors of histone deacetylase ANGELETTI P INST RICHERCHE BIO (IT) 2008-01-16 — — CN disclosed
EP-1768955-A1 AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-04-04 — — EP disclosed
WO-2006005941-A1 AMIDE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI S.P.A. (IT) 2006-01-19 — — WO disclosed
WO-2001019791-A2 3-VINYLPYRROLE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS MORPHOCHEM AG (DE) 2001-03-22 — — 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 (2 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-20110301217-A1 Selective Glycosidase Inhibitors and Uses Thereof ENGASE, OGA, GPI CYP2A6 3030/4885IMPDH2 198/4885HPGD 1949/4885
US-20080221157-A1 Amide Derivatives as Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC4 CYP2A6 1949/4885IMPDH2 1831/4885HPGD 475/4885

“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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