SCHEMBL5117972

SCHEMBL5117972

Cn1c(C(=O)O)cc2cccc(Oc3cccnc3)c21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.44
▸ GFER P55789 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ IDO1 P14902 1/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ GRM5 P41594 2/20 0.38

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
SCHEMBL4049554 0.86 MCL1 (0.44) PPARGGFERALDH1A1SMN1; SMN2MCL1
SCHEMBL5115240 0.81 GFER (0.45) PPARGGFERALDH1A1SMN1; SMN2MCL1
SCHEMBL4048516 0.79 PPARG (0.46) PPARGGFERALDH1A1SMN1; SMN2MCL1
SCHEMBL5114263 0.78 MCL1 (0.41) GFERALDH1A1SMN1; SMN2MCL1HSD17B10
SCHEMBL5872500 0.77 GFER (0.40) PPARGGFERALDH1A1SMN1; SMN2MCL1
SCHEMBL5124452 0.77 PPARG (0.40) PPARGGFERALDH1A1SMN1; SMN2MCL1
SCHEMBL5125532 0.77 PPARG (0.48) PPARGGFERALDH1A1MCL1HSD17B10
SCHEMBL3747639 0.76 KDM4E (0.60) GFERALDH1A1SMN1; SMN2MCL1HSD17B10
SCHEMBL5111493 0.76 BRAF (0.51) —
SCHEMBL14276282 0.76 GFER (0.39) PPARGGFERALDH1A1SMN1; SMN2MCL1

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 4 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

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 PPARG 2667/4885GFER 2265/4885LMNA 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.

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