SCHEMBL5110189

SCHEMBL5110189

CN1CCN(CCc2nccc(Oc3cccc4cc(C(=O)O)n(C)c34)n2)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.37
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 2/20 0.34
RAD52 P43351 1/20 0.34
PTK2 Q05397 1/20 0.34
MCL1 Q07820 2/20 0.34
HRH3 Q9Y5N1 1/20 0.33
MAP3K7 O43318 1/20 0.33
MAP2K1 Q02750 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
HTR1B P28222 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
SCHEMBL5110935 0.94 HRH3 (0.35) KDM4ELMNAALDH1A1KMT2APOLB
SCHEMBL5124781 0.92 ACHE (0.33) KDM4EALDH1A1KMT2APTK2MCL1
SCHEMBL5124540 0.92 CHRM5 (0.36) KDM4EALDH1A1MEN1KMT2APTK2
SCHEMBL5118314 0.91 KDM4E (0.38) KDM4EMEN1KMT2APOLBMCL1
SCHEMBL5125545 0.85 TMEM97 (0.36) RECQLKDM4EALDH1A1MEN1KMT2A
SCHEMBL5111007 0.84 HTR7 (0.43) KDM4EALDH1A1POLBPTK2MCL1
SCHEMBL5118110 0.84 CCR9 (0.34) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL4047440 0.83 MAP3K7 (0.39) ALDH1A1PTK2MCL1MAP3K7MAP2K1
SCHEMBL5114026 0.83 MET (0.37) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL5681490 0.82 GSK3A (0.47)

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 5 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-20060235017-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-10-19 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20060235017-A1 Cytokine Inhibitors IL1B, IL1A, IL1R1 RECQL 398/4885KDM4E 3493/4885LMNA 4076/4885

“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.