SCHEMBL5117910

SCHEMBL5117910

CNc1nc(C)cc(Oc2cccc3cc(C(=O)O)n(C)c23)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.39
▸ HTT P42858 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ GFER P55789 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ GLA P06280 1/20 0.37
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ RXRG P48443 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NUDT1 P36639 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
SCHEMBL5110230 0.85 KDR (0.41) MCL1GFERALDH1A1KDM4EHPGD
SCHEMBL5685377 0.81 MAPK14 (0.41) —
SCHEMBL5115240 0.80 GFER (0.45) MCL1GFERALDH1A1KDM4EHPGD
SCHEMBL5685369 0.79 MAPK14 (0.40) —
SCHEMBL5125257 0.79 SMN1; SMN2 (0.41) LMNAHTTMCL1GFERGLA
SCHEMBL5681413 0.77 KDR (0.42) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5117840 0.77 ALDH1A1 (0.38) LMNAMCL1GFERALDH1A1KDM4E
SCHEMBL5685373 0.75 MAPK14 (0.48) —
SCHEMBL5110948 0.74 MET (0.45) CYP2C9
SCHEMBL14276270 0.74 KDR (0.39) LMNAKDM4ECYP1A2MAPTSMN1; SMN2

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 LMNA 4076/4885HTT 3148/4885MCL1 1081/4885

“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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