SCHEMBL5118314

SCHEMBL5118314

Cn1c(C(=O)O)cc2cccc(Oc3ccnc(CCN4CCOCC4)n3)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
HSD17B10 Q99714 1/20 0.38
ALB P02768 2/20 0.38
MCL1 Q07820 2/20 0.38
KMO O15229 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM5A P29375 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.36
SRC P12931 2/20 0.36
SYK P43405 2/20 0.36
GSK3A P49840 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
APAF1 O14727 1/20 0.35
MITF O75030 1/20 0.35
CASP7 P55210 1/20 0.35
CASP9 P55211 1/20 0.35

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
SCHEMBL5114026 0.92 MET (0.37) KDM4EALBMCL1KMORXFP1
SCHEMBL5110935 0.92 HRH3 (0.35) KDM4EHSD17B10MCL1KMT2APOLB
SCHEMBL5110189 0.91 RECQL (0.37) KDM4EMCL1MEN1KMT2APOLB
SCHEMBL5124781 0.89 ACHE (0.33) KDM4EHSD17B10MCL1KMT2AL3MBTL1
SCHEMBL5110937 0.89 MEN1 (0.42) KDM4EALBMCL1KMOMEN1
SCHEMBL5110834 0.85 MKNK1 (0.46) KDM4ERXFP1MEN1KMT2APOLB
SCHEMBL5681263 0.85 SCN9A (0.37) KDM4ETDP1SRCSYKGSK3A
SCHEMBL5681253 0.84 SCN9A (0.39) KDM4ETDP1SRCSYKGSK3A
SCHEMBL5125545 0.83 TMEM97 (0.36) KDM4EHSD17B10MCL1MEN1KMT2A
SCHEMBL5124540 0.83 CHRM5 (0.36) KDM4EMCL1MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US claimed
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
US-20060235017-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-10-19 US disclosed
US-7078419-B2 N-aryl-7-(pyridin-4yl-methyl-, oxy-, thio-or amino-)indole-2-carbonamide derivatives, e.g., 7-(2,6-Dimethyl-pyridin-4-yloxy)-1H-indole-2-carboxylic acid (5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenyl)-amide; treating chronic inflammatory diseases and anticoagulant or fibrinolytic therapy BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-07-18 US disclosed
EP-1631567-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-03-08 EP disclosed
WO-2005016918-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-24 WO disclosed
US-20040186114-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-09-23 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 (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-20040186114-A1 Cytokine inhibitors IL1A, IL1B, IL1R1 KDM4E 3470/4885HSD17B10 2499/4885ALB 1328/4885
US-20060235017-A1 Cytokine Inhibitors IL1B, IL1A, IL1R1 KDM4E 3493/4885HSD17B10 2583/4885ALB 1271/4885

“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.