Sugi Predict

Sugi Predict / Compounds / SCHEMBL396279

SCHEMBL396279

SCHEMBL396279

Nc1ccc2ccn(Cc3ccccc3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.66
▸ APP P05067 4/20 0.53
▸ SNCA P37840 3/20 0.53
▸ BRD4 O60885 3/20 0.50
▸ BACE1 P56817 1/20 0.48
▸ PLAU P00749 2/20 0.47
▸ SLC2A1 P11166 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ KDM4C Q9H3R0 1/20 0.43

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
SCHEMBL5134071 1.00 HTR6 (0.66) HTR6APPSNCABRD4BACE1
SCHEMBL30241534 0.87 HTR6 (0.66) HTR6APPSNCAPLAUSLC2A1
SCHEMBL2769024 0.87 HTR6 (0.66) HTR6APPSNCAPLAUSLC2A1
SCHEMBL1122491 0.84 NOS1 (0.52) HTR6KMT2A
SCHEMBL916458 0.82 HTR6 (0.51) HTR6PLAUKMT2AKDM4C
SCHEMBL24414631 0.82 HTR6 (0.57) HTR6APPSNCABRD4BACE1
SCHEMBL28101302 0.81 HTR6 (0.60) HTR6APPSNCABRD4BACE1
SCHEMBL710269 0.81 HTR6 (0.50) HTR6APPSNCABRD4BACE1
SCHEMBL17602070 0.80 BACE1 (0.61) HTR6APPSNCABRD4BACE1
SCHEMBL4943583 0.80 HTR6 (0.58) HTR6APPSNCABRD4BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107501099-B Modulators of ATP-binding cassette transporters 沃泰克斯药物股份有限公司 2021-03-19 — — CN disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 — — EP disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 — — EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 — — US disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 — — US disclosed
CN-108148005-B O-aminophenol derivatives and preparation method thereof 暨南大学 2020-04-14 — — CN disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 — — EP disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 — — US disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 — — US disclosed
EP-2915804-B1 NOVEL AMINE DERIVATIVE OR SALT THEREOF AS TNF ALPHA INHIBITORS FUJIFILM TOYAMA CHEMICAL CO LTD (JP) 2019-03-27 — — EP disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 — — US disclosed
WO-2007075946-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 — — WO disclosed
CN-1282640-C N-arylphenylacetamide derivatives and medicinal compositions containing same DAINIPPON PHARMACEUTICAL CO (JP) 2006-11-01 — — CN disclosed
US-7084176-B2 N-arylphenylacetamide derivatives and medicinal compositions containing the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2006-08-01 — — US disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 — — US disclosed
US-20040248983-A1 N-arylphenylacetamide derivatives and medicinal compositions containing the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-12-09 — — US disclosed
CN-1529692-A N-arylphenylacetamide derivatives and medicinal compositions containing same 大日本制药株式会社 2004-09-15 — — CN disclosed
EP-1403235-A1 N-ARYLPHENYLACETAMIDE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 2004-03-31 — — EP disclosed
EP-0843671-A1 HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1998-05-27 — — EP disclosed
WO-1997003069-A1 HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1997-01-30 — — 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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HTR6 2474/4885APP 1553/4885SNCA 4720/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 HTR6 2474/4885APP 1553/4885SNCA 4720/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 HTR6 3288/4885APP 2594/4885SNCA 4750/4885
US-20040248983-A1 N-arylphenylacetamide derivatives and medicinal compositions containing the same HRH2, CCR8, CYP2C8 HTR6 386/4885APP 4227/4885SNCA 758/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 HTR6 2881/4885APP 3471/4885SNCA 4827/4885

“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.