SCHEMBL5123585

SCHEMBL5123585

CN(C)c1nccc(Oc2cccc3cc(C(=O)O)n(C)c23)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 6/20 0.40
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
GFER P55789 1/20 0.37
CCR2 P41597 1/20 0.35
PTK2 Q05397 1/20 0.35
MAPK14 Q16539 1/20 0.35
SRD5A2 P31213 2/20 0.35
SRD5A1 P18405 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL5110255 0.89 ALDH1A1 (0.39) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5115191 0.86 ALOX5AP (0.40) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5111119 0.86 MCL1 (0.36) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5126231 0.85 KDM4E (0.43) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5118555 0.85 PIK3CD (0.36) MCL1ALDH1A1KDM4EHPGDPTK2
SCHEMBL5110230 0.84 KDR (0.41) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5117902 0.84 MCL1 (0.39) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5111007 0.84 HTR7 (0.43) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5110670 0.84 ALDH1A1 (0.38) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5124409 0.84 MCL1 (0.38) MCL1ALDH1A1KDM4EHPGDHSD17B10

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1631567-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-03-08 EP claimed
WO-2005016918-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-24 WO 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
EP-1631567-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-03-08 EP disclosed
WO-2005016918-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-24 WO 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 MCL1 1081/4885ALDH1A1 1355/4885KDM4E 3493/4885

“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.