SCHEMBL110214

SCHEMBL110214

CN(C)CCOc1ccc(N)c(N)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.56
NFE2L2 Q16236 1/20 0.56
HRH3 Q9Y5N1 1/20 0.53
CHRNB2 P17787 3/20 0.53
CHRNA4 P43681 3/20 0.53
LTA4H P09960 2/20 0.51
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPT P10636 1/20 0.50
NR4A1 P22736 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.45
ROCK2 O75116 1/20 0.44

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
SCHEMBL20982486 0.91 KDM4E (0.58) KEAP1NFE2L2HRH3KDM4EALDH1A1
SCHEMBL11715528 0.90 LTA4H (0.63) KEAP1NFE2L2HRH3CHRNB2CHRNA4
SCHEMBL20982689 0.90 KDM4E (0.52) KEAP1NFE2L2HRH3CHRNB2CHRNA4
SCHEMBL20982799 0.89 KDM4E (0.59) KEAP1NFE2L2HRH3KDM4EALDH1A1
SCHEMBL11713528 0.89 LTA4H (0.58) KEAP1NFE2L2HRH3CHRNB2CHRNA4
SCHEMBL7353689 0.86 KEAP1 (0.53) KEAP1NFE2L2HRH3CHRNB2CHRNA4
SCHEMBL310630 0.86 KEAP1 (0.53) KEAP1NFE2L2HRH3CHRNB2CHRNA4
SCHEMBL30343866 0.86 KEAP1 (0.53) KEAP1NFE2L2HRH3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL3543706 0.84 KEAP1 (0.51) KEAP1NFE2L2HRH3CHRNB2CHRNA4
SCHEMBL2688417 0.84 KEAP1 (0.51) KEAP1NFE2L2HRH3CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961202-B2 Bis-benzimidazole compounds and methods of using the same THE SCRIPPS RESEARCH INSTITUTE (US) 2021-03-30 US 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
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2019-05-23 US disclosed
US-RE46943-E1 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2018-07-10 US disclosed
US-RE46943-E1 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2018-07-10 US disclosed
EP-2556058-B1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INST (AU) 2017-06-14 EP disclosed
US-8999993-B2 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2015-04-07 US disclosed
US-8999993-B2 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2015-04-07 US disclosed
EP-2424843-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2014-03-26 EP disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO disclosed
EP-0249239-B1 Process for the formation of direct positive images FUJI PHOTO FILM CO LTD (JP) 1995-01-25 EP disclosed
US-4954427-A Development of light-sensitive material in the presence of a nucleating agent and a nuceation accelerator FUJI PHOTO FILM CO., LTD. (JP) 1990-09-04 US disclosed
US-4933265-A NUCLEATION PROMOTER FUJI PHOTO FILM CO., LTD. (JP) 1990-06-12 US disclosed
US-4886738-A COLOR REVERSAL MATERIAL WITH IMPROVED PUSH DEVELOPABILITY FUJI PHOTO FILM CO., LTD. (JP) 1989-12-12 US disclosed
EP-0249239-A2 Process for the formation of direct positive images FUJI PHOTO FILM CO., LTD. (JP) 1987-12-16 EP 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 (3 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 KEAP1 1695/4885NFE2L2 1027/4885HRH3 1553/4885
US-10961202-B2 Bis-benzimidazole compounds and methods of using the same HNRNPH1, HNRNPH3, HNRNPUL2 KEAP1 1497/4885NFE2L2 1740/4885HRH3 389/4885
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME HNRNPH1, HNRNPH3, HNRNPUL2 KEAP1 1497/4885NFE2L2 1740/4885HRH3 389/4885

“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.