SCHEMBL477422

SCHEMBL477422

NN(C(=O)O)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
ADH1A P07327 4/20 0.36
FDPS P14324 1/20 0.35
ADH1C P00326 2/20 0.34
EPHX1 P07099 1/20 0.34
ALOX5 P09917 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
PAX8 Q06710 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATM Q13315 1/20 0.34
PHGDH O43175 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL27784443 1.00 ALDH1A1 (0.36) ALDH1A1CES2CES1ADH1AFDPS
Hydrochloric Acid SCHEMBL4731885 0.98 ALDH1A1 (0.35) ALDH1A1CES2CES1ADH1AFDPS
SCHEMBL27905532 0.97 ADH1A (0.35) ALDH1A1CES2CES1ADH1AFDPS
SCHEMBL1512805 0.95
SCHEMBL9423678 0.87
SCHEMBL10508925 0.87
SCHEMBL9863767 0.81 EPHX1 (0.41) EPHX1
SCHEMBL27874517 0.80 ALOX5 (0.43) ALDH1A1CES2CES1ADH1AFDPS
SCHEMBL28184625 0.79 TSHR (0.39) EPHX1KDM4EKMT2ASMN1; SMN2ATM
SCHEMBL27945454 0.79 TSHR (0.39) EPHX1KDM4EKMT2ASMN1; SMN2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3355699-A1 BICYCLIC COMPOUND AND USE THEREOF FOR INHIBITING SUV39H2 OncoTherapy Science, Inc. (JP) 2018-08-08 EP claimed
EP-1605176-B1 Lubricated and sealed rolling bearing JTEKT CORP (JP) 2008-09-03 EP claimed
EP-1089003-B1 Lubricated and sealed rolling bearing KOYO SEIKO CO (JP) 2005-12-28 EP claimed
EP-1138478-B1 Packaging films AICELLO CHEMICAL CO (JP) 2005-10-19 EP claimed
CN-111936468-B Compounds with anticancer activity 协和麒麟株式会社 2024-03-08 CN disclosed
EP-4267553-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2023-11-01 EP disclosed
WO-2022140520-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2022-06-30 WO disclosed
US-20180319772-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-11-08 US disclosed
US-10106526-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2018-10-23 US disclosed
US-20180273529-A1 BICYCLIC COMPOUND AND USE THEREOF FOR INHIBITING SUV39H2 ONCOTHERAPY SCIENCE, INC. (JP) 2018-09-27 US disclosed
EP-3355699-A1 BICYCLIC COMPOUND AND USE THEREOF FOR INHIBITING SUV39H2 OncoTherapy Science, Inc. (JP) 2018-08-08 EP disclosed
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) OXFORD FINANCE LLC, AS COLLATERAL AGENT 2017-06-29 US disclosed
EP-2782580-A1 SELECTIVE KINASE INHIBITORS Portola Pharmaceuticals, Inc. (US) 2014-10-01 EP disclosed
EP-2597955-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-06-05 EP disclosed
WO-2013078468-A1 SELECTIVE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 WO disclosed
WO-2012016082-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2012-02-02 WO disclosed
EP-2411387-A2 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY Pathway Therapeutics, Inc. (US) 2012-02-01 EP disclosed
WO-2011002772-A1 IMIDAZOPYRIDINE DERIVATIVES AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-01-06 WO disclosed
WO-2010110685-A2 PYRIMDDINYL AND 1,3,5-TRIAZINYL BENZIMTOAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2010-09-30 WO disclosed
WO-2008094909-A2 QUINAZOLINONE AND FUSED PYRIMIDINONE COMPOUNDS AND THEIR USE IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-07 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 (4 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-20180273529-A1 BICYCLIC COMPOUND AND USE THEREOF FOR INHIBITING SUV39H2 SUV39H2, SUV39H1, EZH1 ALDH1A1 3254/4885CES2 3261/4885CES1 1879/4885
US-10106526-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) CDK7, CDK3, CDK9 ALDH1A1 3898/4885CES2 4876/4885CES1 4334/4885
US-20180319772-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 ALDH1A1 3898/4885CES2 4876/4885CES1 4334/4885
US-20170183355-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK7, CDK3, CDK9 ALDH1A1 3898/4885CES2 4876/4885CES1 4334/4885

“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.