SCHEMBL1576877

SCHEMBL1576877

NC(=O)Nc1ccc2[nH]ccc2c1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.63
RAB9A P51151 4/20 0.63
MAPT P10636 3/20 0.63
MAOB P27338 7/20 0.60
MAOA P21397 6/20 0.60
PRKCI P41743 1/20 0.58
EPHX1 P07099 2/20 0.56

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
SCHEMBL30026512 1.00 NPC1 (0.63) NPC1RAB9AMAPTMAOBMAOA
SCHEMBL5490235 0.86 ESR1 (0.60) NPC1RAB9AMAPTMAOA
SCHEMBL29978546 0.86 ESR1 (0.60) NPC1RAB9AMAPTMAOA
SCHEMBL22803696 0.86 NPC1 (0.67) NPC1RAB9AMAPTMAOBMAOA
SCHEMBL4347943 0.84 NPC1 (0.69) NPC1RAB9AMAPTMAOBMAOA
SCHEMBL31668688 0.84 MAOA (0.66) NPC1RAB9AMAPTMAOBMAOA
SCHEMBL24196796 0.84 NPC1 (0.54) NPC1RAB9AMAPTMAOBMAOA
SCHEMBL29035928 0.83 NPC1 (0.52) NPC1RAB9AMAPTMAOBMAOA
SCHEMBL5177372 0.83 MAOB (0.83) NPC1RAB9AMAPTMAOBMAOA
SCHEMBL721964 0.83 MAOB (0.65) NPC1RAB9AMAPTMAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11377447-B2 Targeted therapeutics MADRIGAL PHARMACEUTICALS, INC. (US) 2022-07-05 US disclosed
WO-2020257621-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2020-12-24 WO disclosed
US-20200239472-A1 TARGETED THERAPEUTICS LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2020-07-30 US disclosed
EP-3305763-B1 DEUTERATED OR ISOTOPICALLY LABELED UREA DERIVATIVES OR PHARMACOLOGICALLY ACCEPTABLE SALTS THEREOF USEFUL AS FPRL-1 AGONISTS KYORIN SEIYAKU KK (JP) 2019-07-24 EP disclosed
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE S.A (ES) 2012-05-24 US disclosed
EP-2308871-A1 Substituted indole compounds and their use as 5-HT6 receptor modulators Laboratorios Del. Dr. Esteve, S.A. (ES) 2011-04-13 EP disclosed
EP-1660131-B1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY ESTEVE LABOR DR (ES) 2009-06-24 EP disclosed
EP-1648445-B1 INDOL-5-YL SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE 5-HT-6 AS MODULATORS ESTEVE LABOR DR (ES) 2009-06-03 EP disclosed
EP-1648468-B1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY ESTEVE LABOR DR (ES) 2008-09-24 EP disclosed
CN-101068809-A Substituted indole compounds and their use as 5-ht6 receptor modulators ESTEVE LABOR DR (ES) 2007-11-07 CN disclosed
EP-1648468-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 EP disclosed
EP-1648445-A1 INDOL-5-YL SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE 5-HT-6 AS MODULATORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-04-26 EP disclosed
WO-2006024535-A1 SUBSTITUTED INDOLE COMPOUNDS AND THEIR USE AS 5-HT6 RECEPTOR MODULATORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-03-09 WO disclosed
EP-1632491-A1 Substituted indole compounds and their use as 5-HT6 receptor modulators LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-03-08 EP disclosed
US-6858577-B1 Indole peptidomimetics as thrombin receptor antagonists ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-02-22 US disclosed
WO-2005014000-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2005-02-17 WO disclosed
WO-2005013977-A1 INDOL-5-YL SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE 5-HT-6 AS MODULATORS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2005-02-17 WO disclosed
WO-2005014045-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2005-02-17 WO disclosed
WO-2001000657-A2 NOVEL INDOLE PEPTIDOMIMETICS AS THROMBIN RECEPTOR ANTAGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-01-04 WO disclosed
US-5418237-A Indole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-05-23 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 (3 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-20200239472-A1 TARGETED THERAPEUTICS CDC37, HSP90AB1, HSP90B1 NPC1 692/4885RAB9A 1747/4885MAPT 811/4885
US-11377447-B2 Targeted therapeutics CDC37, HSP90AB1, HSP90B1 NPC1 692/4885RAB9A 1747/4885MAPT 811/4885
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, NPY5R, NPY2R NPC1 2956/4885RAB9A 4275/4885MAPT 2467/4885

“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.