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
SCHEMBL5111007 0.77 HTR7 (0.43) ALDH1A1CYP1A2POLBKDM4EHPGD
SCHEMBL5110255 0.77 ALDH1A1 (0.39) ALDH1A1CYP1A2POLBKDM4EHPGD
SCHEMBL5115240 0.75 GFER (0.45) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL5118491 0.75 ALDH1A1 (0.37) ALDH1A1CYP1A2POLBKDM4EHPGD
SCHEMBL5118613 0.75 MKNK1 (0.39) ALDH1A1CYP1A2POLB
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.

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