SCHEMBL5117840

SCHEMBL5117840

Cc1cc(Oc2cccc3cc(C(=O)O)n(C)c23)nc(OCCN(C)C)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
HTR6 P50406 1/20 0.37
KDM4E B2RXH2 8/20 0.36
HTR1B P28222 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MCL1 Q07820 2/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HRH1 P35367 1/20 0.34
GFER P55789 1/20 0.34

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
SCHEMBL5110670 0.88 ALDH1A1 (0.38) ALDH1A1CYP1A2POLBKDM4EHTR1B
SCHEMBL14276147 0.77 MAPK14 (0.46)
SCHEMBL5117910 0.77 LMNA (0.39) ALDH1A1CYP1A2KDM4EHPGDHSD17B10
SCHEMBL5110255 0.77 ALDH1A1 (0.39) ALDH1A1CYP1A2POLBKDM4EHPGD
SCHEMBL5111007 0.77 HTR7 (0.43) ALDH1A1CYP1A2POLBKDM4EHPGD
SCHEMBL5115240 0.75 GFER (0.45) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL5118613 0.75 MKNK1 (0.39) ALDH1A1CYP1A2POLB
SCHEMBL5118491 0.75 ALDH1A1 (0.37) ALDH1A1CYP1A2POLBKDM4EHPGD
SCHEMBL5111119 0.75 MCL1 (0.36) ALDH1A1CYP1A2POLBKDM4EHPGD
SCHEMBL5123585 0.74 MCL1 (0.40) ALDH1A1CYP1A2POLBKDM4EHPGD

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 ALDH1A1 1355/4885CYP1A2 1201/4885POLB 3142/4885

“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.