SCHEMBL2187580

SCHEMBL2187580

C=CCS(=O)(=O)N1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 2/20 0.39
F13A1 P00488 1/20 0.36
TGM2 P21980 1/20 0.36
TGM1 P22735 1/20 0.36
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
PNMT P11086 1/20 0.31
ALDH1A1 P00352 2/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL12821513 1.00 KDM4E (0.42) KDM4EKMT2AF13A1TGM2TGM1
Hydrochloric Acid SCHEMBL27646236 0.98 KDM4E (0.41) KDM4EKMT2AF13A1TGM2TGM1
Ethane SCHEMBL27663543 0.96 KMT2A (0.41) KDM4EKMT2AF13A1TGM2TGM1
Cyclopropane SCHEMBL27924381 0.94 KDM4E (0.47) KDM4EKMT2AF13A1TGM2TGM1
SCHEMBL2091582 0.88 KDM4E (0.35) KDM4EKMT2AF13A1TGM2TGM1
SCHEMBL2185192 0.80 CA1 (0.39) KDM4EKMT2AF13A1TGM2TGM1
SCHEMBL5257406 0.80 KMT2A (0.37) KDM4EKMT2AMAPTMEN1ALDH1A1
SCHEMBL2185175 0.78 CA1 (0.42) KDM4EKMT2AMAPTMEN1USP2
SCHEMBL3598094 0.76 KDM4E (0.46) KDM4EKMT2AF13A1TGM2TGM1
SCHEMBL2186346 0.75 CA12 (0.48) KDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694060-A1 SUBSTITUTED 3-(1H-BENZO{D}IMIDAZOL-2-YL)-1H-INDAZOLE-ANALOGS AS INHIBITORS OF THE PDK1 KINASE University of Utah Research Foundation (US) 2014-02-12 EP claimed
US-8569511-B2 Substituted 3-(1H-benzo[d]imidazol-2-yl)-1H-indazole analogs as inhibitors of the PDK1 kinase UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2013-10-29 US claimed
US-20120277229-A1 SUBSTITUTED 3-(1H-BENZO[D]IMIDAZOL-2-YL)-1H-INDAZOLE ANALOGS AS INHIBITORS OF THE PDK1 KINASE UNIVERSITY OF UTAH RESEARCH FOUNDATION 2012-11-01 US claimed
WO-2012135799-A1 SUBSTITUTED 3-(1H-BENZO{D}IMIDAZOL-2-YL)-1H-INDAZOLE-ANALOGS AS INHIBITORS OF THE PDK1 KINASE UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-10-04 WO claimed
EP-2346507-A1 USE OF QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES Boehringer Ingelheim International GmbH (DE) 2011-07-27 EP claimed
WO-2010026029-A1 USE OF QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO claimed
US-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-07-19 US claimed
EP-1748980-A1 PYRROLIDINE DERIVATIVES AS CB1-RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 2007-02-07 EP claimed
CN-1882529-A Histone deacetylase inhibitors METHYLGENE INC (CA) 2006-12-20 CN claimed
WO-2006089871-A2 DIPHENYLUREA DERIVATIVES USEFUL AS ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS NEUROSEARCH A/S (DK) 2006-08-31 WO claimed
WO-2005115977-A1 PYRROLIDINE DERIVATIVES AS CB1-RECEPTOR ANTAGONISTS TANABE SEIYAKU CO., LTD. (JP) 2005-12-08 WO claimed
CN-1642948-A Piperazinyl-, piperidinyl-and morpholinyl derivatives as novel histone deacetylase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2005-07-20 CN claimed
WO-1995009158-A1 TRICYCLIC DERIVATIVES ZENECA LIMITED (GB) 1995-04-06 WO claimed
WO-1994007869-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1994-04-14 WO claimed
CN-109415392-A Fluorochemical piperazines formamide 3M创新有限公司 2019-03-01 CN disclosed
CN-105130973-B 5- pyridine radicals -2- amino-benzo [d] oxazole derivatives and its preparation method and application 海南国瑞堂中药制药有限公司 2018-05-01 CN disclosed
CN-103864753-A Anti-HCV (hepatitis C) compound containing five-membered heteroaromatic ring structure, as well as preparation method and applications thereof UNIV EAST CHINA NORMAL 2014-06-18 CN disclosed
EP-0675114-A1 OXAZOLINONE DERIVATIVE HAVING INTRACELLULAR PHOSPHOLIPASE A 2? INHIBITOR ACTIVITY SHIONOGI & CO., LTD. (JP) 1995-10-04 EP disclosed
WO-1995009158-A1 TRICYCLIC DERIVATIVES ZENECA LIMITED (GB) 1995-04-06 WO disclosed
WO-1994007869-A1 QUINAZOLINE DERIVATIVES ZENECA LIMITED (GB) 1994-04-14 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 (2 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-20070167440-A1 Novel pyrrolidine compound and a process for preparing the same CNR1, CNR2, OPRD1 KDM4E 535/4885KMT2A 1998/4885F13A1 2783/4885
US-20120277229-A1 SUBSTITUTED 3-(1H-BENZO[D]IMIDAZOL-2-YL)-1H-INDAZOLE ANALOGS AS INHIBITORS OF THE PDK1 KINASE PDK1, PDK3, PDK2 KDM4E 1236/4885KMT2A 1793/4885F13A1 4503/4885

“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.