SCHEMBL779852

SCHEMBL779852

COc1ccc2sc(Cl)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
DYRK1A Q13627 3/20 0.54
KMT2A Q03164 2/20 0.51
PPARA Q07869 4/20 0.49
ILK Q13418 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 1/20 0.47
TP53 P04637 2/20 0.47
PKM P14618 1/20 0.47
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
ALDH1A1 P00352 2/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
PDK1 Q15118 1/20 0.46
BACE1 P56817 1/20 0.46

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
SCHEMBL144993 0.86 KMT2A (0.69) NPC1RAB9ASMN1; SMN2DYRK1AKMT2A
SCHEMBL95067 0.80 NPC1 (0.55) NPC1RAB9ASMN1; SMN2DYRK1APPARA
SCHEMBL2400142 0.80 NPC1 (0.55) NPC1RAB9ASMN1; SMN2DYRK1AKMT2A
SCHEMBL31276816 0.80 NPC1 (0.55) NPC1RAB9ASMN1; SMN2DYRK1APPARA
SCHEMBL30627231 0.79 NPC1 (0.54) NPC1RAB9ASMN1; SMN2DYRK1AKMT2A
SCHEMBL12318433 0.79 NPC1 (0.54) NPC1RAB9ASMN1; SMN2DYRK1AKMT2A
SCHEMBL29751964 0.79 CYP3A4 (0.75) NPC1RAB9ASMN1; SMN2DYRK1APPARA
SCHEMBL778048 0.79 NPC1 (0.54) NPC1RAB9ASMN1; SMN2DYRK1AKMT2A
SCHEMBL11459521 0.79 NPC1 (0.57) NPC1RAB9ASMN1; SMN2DYRK1AKMT2A
SCHEMBL2748547 0.79 NPC1 (0.54) NPC1RAB9ASMN1; SMN2DYRK1AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3568399-B1 AZIRIDINE SPINOSYN DERIVATIVES AND METHODS OF MAKING AGRIMETIS LLC (US) 2026-04-22 EP disclosed
US-20200148716-A1 AZIRIDINE SPINOSYN DERIVATIVES AND METHODS OF MAKING AGRIMETIS, LLC (US) 2020-05-14 US disclosed
US-20200148716-A1 AZIRIDINE SPINOSYN DERIVATIVES AND METHODS OF MAKING AGRIMETIS, LLC (US) 2020-05-14 US disclosed
US-10570165-B2 Aziridine spinosyn derivatives and methods of making AGRIMETIS, LLC (US) 2020-02-25 US disclosed
US-10570165-B2 Aziridine spinosyn derivatives and methods of making AGRIMETIS, LLC (US) 2020-02-25 US disclosed
EP-3568399-A1 AZIRIDINE SPINOSYN DERIVATIVES AND METHODS OF MAKING Agrimetis, LLC (US) 2019-11-20 EP disclosed
US-20180291053-A1 AZIRIDINE SPINOSYN DERIVATIVES AND METHODS OF MAKING AGRIMETIS, LLC (US) 2018-10-11 US disclosed
WO-2018132288-A1 AZIRIDINE SPINOSYN DERIVATIVES AND METHODS OF MAKING AGRIMETIS, LLC (US) 2018-07-19 WO disclosed
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INST MEDICAL RES (US) 2017-05-18 US disclosed
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INST MEDICAL RES (US) 2017-05-18 US disclosed
US-7423156-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-09 US disclosed
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2008-02-28 US disclosed
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2008-02-28 US disclosed
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2008-02-28 US disclosed
WO-2007146066-A2 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CRITICAL THERAPEUTICS, INC. (US) 2007-12-21 WO disclosed
US-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-31 US disclosed
US-7091228-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-15 US disclosed
EP-1633722-A2 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY Bayer Pharmaceuticals Corporation (US) 2006-03-15 EP disclosed
WO-2004100881-A2 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2004-11-25 WO disclosed
US-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2004-11-11 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-10570165-B2 Aziridine spinosyn derivatives and methods of making AAAS, AZI2, NISCH NPC1 3457/4885RAB9A 442/4885SMN1; SMN2 404/4885
US-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC NPC1 187/4885RAB9A 2066/4885SMN1; SMN2 3975/4885
US-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC NPC1 187/4885RAB9A 2066/4885SMN1; SMN2 3975/4885
US-20200148716-A1 AZIRIDINE SPINOSYN DERIVATIVES AND METHODS OF MAKING AAAS, AZI2, NISCH NPC1 3457/4885RAB9A 442/4885SMN1; SMN2 404/4885
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRM5 NPC1 2069/4885RAB9A 1762/4885SMN1; SMN2 468/4885
US-20180291053-A1 AZIRIDINE SPINOSYN DERIVATIVES AND METHODS OF MAKING AAAS, AZI2, NISCH NPC1 3457/4885RAB9A 442/4885SMN1; SMN2 404/4885
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof CHRNA7, CHRNA5, CHRNA2 NPC1 1706/4885RAB9A 1898/4885SMN1; SMN2 782/4885

“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.