SCHEMBL8404640

SCHEMBL8404640

CC(C)C(=O)NCCN1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HSD17B10 Q99714 2/20 0.54
HTR4 Q13639 3/20 0.48
CHRM5 P08912 1/20 0.47
CHRM3 P20309 1/20 0.47
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ANPEP P15144 1/20 0.44
ERAP2 Q6P179 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
TSHR P16473 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 1/20 0.40
RECQL P46063 1/20 0.40
RAD52 P43351 1/20 0.40

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
SCHEMBL30393488 0.87 MEN1 (0.52) MEN1KMT2AHSD17B10HTR4CHRM5
SCHEMBL18347983 0.84 RAB9A (0.50) MEN1KMT2ACYP2C19KDM4ETSHR
SCHEMBL9911466 0.84 RAB9A (0.54) MEN1KMT2ACYP2C19KDM4ETSHR
SCHEMBL25815852 0.84 MEN1 (0.50) MEN1KMT2AHSD17B10HTR4CHRM5
SCHEMBL25816571 0.84 MEN1 (0.50) MEN1KMT2AHSD17B10HTR4CHRM5
SCHEMBL3594497 0.82 CA12 (0.54) MEN1KMT2ACYP2C19KDM4EALDH1A1
SCHEMBL4100480 0.82 CYP2C19 (0.51) MEN1KMT2AHTR4CYP2C19TSHR
SCHEMBL1021302 0.80 MEN1 (0.59) MEN1KMT2AHSD17B10HTR4CHRM5
SCHEMBL22162239 0.80 TP53 (0.64) MEN1KMT2AHSD17B10HTR4CHRM5
SCHEMBL13115955 0.79 CYP2C19 (0.45) MEN1KMT2ACYP2C19TSHRDRD2

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 10 patents. 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-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2019-05-23 US disclosed
US-20160376283-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-12-29 US disclosed
US-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 US disclosed
US-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-09-19 US disclosed
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2012-05-24 US disclosed
US-20090075981-A1 INHIBITORS OF p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-03-19 US disclosed
US-7423049-B2 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-09 US disclosed
US-20070060572-A1 Inhibitors of p38 VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-15 US disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 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 (8 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-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 MEN1 1209/4885KMT2A 1024/4885HSD17B10 998/4885
US-10961202-B2 Bis-benzimidazole compounds and methods of using the same HNRNPH1, HNRNPH3, HNRNPUL2 MEN1 1360/4885KMT2A 560/4885HSD17B10 3296/4885
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF MEN1 852/4885KMT2A 3435/4885HSD17B10 2499/4885
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 MEN1 1209/4885KMT2A 1024/4885HSD17B10 998/4885
US-20190152924-A1 BIS-BENZIMIDAZOLE COMPOUNDS AND METHODS OF USING THE SAME HNRNPH1, HNRNPH3, HNRNPUL2 MEN1 1360/4885KMT2A 560/4885HSD17B10 3296/4885
US-20090075981-A1 INHIBITORS OF p38 MAPK1, MAPK3, MAP3K1 MEN1 4458/4885KMT2A 3956/4885HSD17B10 3778/4885
US-20160376283-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF NFKBIA, TBKBP1, TBK1 MEN1 4009/4885KMT2A 2730/4885HSD17B10 3369/4885
US-20070060572-A1 Inhibitors of p38 MAPK1, MAPK3, MAP3K1 MEN1 4458/4885KMT2A 3956/4885HSD17B10 3778/4885

“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.