SCHEMBL743729

SCHEMBL743729

CNC(CN)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 5/20 0.34
POLB P06746 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
DGAT1 O75907 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
NOS1 P29475 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 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
SCHEMBL3400833 0.85 MEN1 (0.34) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL3545331 0.84 TDP1 (0.40) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL23901484 0.82 MEN1 (0.35) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL27897841 0.82 MEN1 (0.35) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL22156685 0.82 CTSK (0.42) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL16426525 0.81 GGT1 (0.39) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL20783244 0.81 CYP1A2 (0.47) CA1CA2CA7CYP1A2CYP2C9
SCHEMBL2393366 0.81 CYP1A2 (0.47) CA1CA2CA7CYP1A2CYP2C9
SCHEMBL25256775 0.81 CYP1A2 (0.47) CA1CA2CA7CYP1A2CYP2C9
SCHEMBL7402242 0.81 MAOA (0.35) MAPTMEN1KMT2AALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4077347-A1 SYNTHETIC TRITERPENOIDS WITH NITROGEN-BASED SUBSTITUENTS AT C-17 AND METHODS OF USE THEREOF Reata Pharmaceuticals, Inc. (US) 2022-10-26 EP disclosed
WO-2021127480-A1 SYNTHETIC TRITERPENOIDS WITH NITROGEN-BASED SUBSTITUENTS AT C-17 AND METHODS OF USE THEREOF REATA PHARMACEUTICALS, INC. (US) 2021-06-24 WO disclosed
US-10961202-B2 Bis-benzimidazole compounds and methods of using the same THE SCRIPPS RESEARCH INSTITUTE (US) 2021-03-30 US disclosed
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2019-05-23 US disclosed
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 EP disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 US disclosed
EP-1497287-A4 QUINOLINONE DERIVATIVES NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-07-11 EP disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
EP-1497287-A1 QUINOLINONE DERIVATIVES CHIRON CORPORATION (US) 2005-01-19 EP disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US disclosed
WO-2003087095-A1 QUINOLINONE DERIVATIVES CHIRON CORPORATION (US) 2003-10-23 WO disclosed
EP-1317442-A1 QUINOLINONE DERIVATIVES AS TYROSINE KINASE INHIBITORS CHIRON CORPORATION (US) 2003-06-11 EP disclosed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 EP disclosed
WO-2002022598-A1 QUINOLINONE DERIVATIVES AS TYROSINE KINASE INHIBITORS CHIRON CORPORATION (US) 2002-03-21 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 (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-10961202-B2 Bis-benzimidazole compounds and methods of using the same HNRNPH1, HNRNPH3, HNRNPUL2 MAPT 60/4885MEN1 1360/4885KMT2A 560/4885
US-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 MAPT 4475/4885MEN1 208/4885KMT2A 1593/4885
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME HNRNPH1, HNRNPH3, HNRNPUL2 MAPT 60/4885MEN1 1360/4885KMT2A 560/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 MAPT 4475/4885MEN1 208/4885KMT2A 1593/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 MAPT 4605/4885MEN1 226/4885KMT2A 980/4885

“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.