SCHEMBL5548239

SCHEMBL5548239

COC(=O)C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.56
PKM P14618 1/20 0.56
ALDH1A1 P00352 3/20 0.55
NPC1 O15118 6/20 0.53
TSHR P16473 1/20 0.53
KCNH2 Q12809 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.50
HTT P42858 2/20 0.50
GAA P10253 2/20 0.50
NLRP1 Q9C000 1/20 0.50
ATM Q13315 1/20 0.50
CYP19A1 P11511 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 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
SCHEMBL21568080 0.83 NPC1 (0.67) RAB9AALDH1A1NPC1TSHRSMN1; SMN2
SCHEMBL11064150 0.82 POLB (0.52) RAB9APKMALDH1A1NPC1TSHR
SCHEMBL1503906 0.82 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2KMT2AMAPTHTT
SCHEMBL3307191 0.82 NPC1 (0.60) RAB9AALDH1A1NPC1SMN1; SMN2KMT2A
SCHEMBL626576 0.82 MAPT (0.57) RAB9AALDH1A1NPC1TSHRSMN1; SMN2
SCHEMBL209203 0.80 MAPT (0.69) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL208824 0.80 NPC1 (0.58) RAB9APKMALDH1A1NPC1TSHR
SCHEMBL11057395 0.80 MAPT (0.46) RAB9ANPC1SMN1; SMN2MAPTEPHX1
SCHEMBL18415556 0.80 RAB9A (0.68) RAB9AALDH1A1NPC1TSHRSMN1; SMN2
SCHEMBL11123609 0.80 NPC1 (0.53) RAB9AALDH1A1NPC1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114728917-B Oxamide derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-12-08 CN disclosed
CN-114728917-A Oxamide derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-07-08 CN disclosed
WO-2021110076-A1 OXAMIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 深圳信立泰药业股份有限公司 2021-06-10 WO disclosed
WO-2021110076-A1 OXAMIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 深圳信立泰药业股份有限公司 2021-06-10 WO disclosed
US-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2020-11-12 US disclosed
US-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2020-11-12 US disclosed
EP-3724177-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2020-10-21 EP disclosed
US-20200276180-A1 POLYCYCLIC COMPOUND ACTING AS IDO INHIBITOR AND/OR IDO-HDAC DUAL INHIBITOR HANGZHOU INNOGATE PHARMA CO., LTD (CN) 2020-09-03 US disclosed
EP-3686196-A1 POLYCYCLIC COMPOUND ACTING AS IDO INHIBITOR AND/OR IDO-HDAC DUAL INHIBITOR Hangzhou Innogate Pharma Co., Ltd. (CN) 2020-07-29 EP disclosed
WO-2019115586-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2019-06-20 WO disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
CN-1745071-A Novel ethylenediamine derivative DAIICHI SEIYAKU CO (JP) 2006-03-08 CN disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-4483707-A PLANT SAFTENING AGENTS CIBA-GEIGY CORPORATION (US) 1984-11-20 US disclosed
US-4099007-A N,N-SUBSTITUTED 2,4,5-TRIKETOIMIDAZOLIDINES AND A PROCESS FOR THEIR PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1978-07-04 US disclosed
US-4096130-A N,N'substituted 2,4,5-triketoimidazolidines, corresponding resinous polymers and a process for their preparation HOECHST AKTIENGESELLSCHAFT (DT) 1978-06-20 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 (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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S RAB9A 3871/4885PKM 3460/4885ALDH1A1 4310/4885
US-20200352931-A1 OXALAMIDES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT RAB9A 4766/4885PKM 2145/4885ALDH1A1 825/4885
US-20200276180-A1 POLYCYCLIC COMPOUND ACTING AS IDO INHIBITOR AND/OR IDO-HDAC DUAL INHIBITOR IDO1, HDAC1, HDAC2 RAB9A 3678/4885PKM 989/4885ALDH1A1 570/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 RAB9A 1678/4885PKM 3941/4885ALDH1A1 3454/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R RAB9A 3496/4885PKM 4584/4885ALDH1A1 3734/4885

“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.