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SCHEMBL5111119

SCHEMBL5111119

CN(C)Cc1nccc(Oc2cccc3cc(C(=O)O)n(C)c23)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ POLB P06746 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ CCR2 P41597 1/20 0.35
▸ SRD5A2 P31213 2/20 0.34
▸ SRD5A1 P18405 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ ACKR3 P25106 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ BRCA1 P38398 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL5118491 0.91 ALDH1A1 (0.37) MCL1ALDH1A1POLBCYP1A2KDM4E
SCHEMBL5111007 0.90 HTR7 (0.43) MCL1ALDH1A1POLBCYP1A2KDM4E
SCHEMBL5123585 0.86 MCL1 (0.40) MCL1ALDH1A1POLBCYP1A2KDM4E
SCHEMBL5110670 0.85 ALDH1A1 (0.38) MCL1ALDH1A1POLBCYP1A2KDM4E
SCHEMBL5110255 0.84 ALDH1A1 (0.39) MCL1ALDH1A1POLBCYP1A2KDM4E
SCHEMBL5125545 0.83 TMEM97 (0.36) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5124540 0.82 CHRM5 (0.36) MCL1ALDH1A1KDM4ECCR2TP53
SCHEMBL5110935 0.82 HRH3 (0.35) MCL1ALDH1A1POLBKDM4EHSD17B10
SCHEMBL5115191 0.82 ALOX5AP (0.40) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5110189 0.82 RECQL (0.37) MCL1ALDH1A1POLBKDM4EPTK2

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 6 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
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

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 1355/4885POLB 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.