SCHEMBL5111483

SCHEMBL5111483

Cn1c(C(=O)O)cc2cccc(Oc3ccnc(CN4CCOCC4)c3)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.38
CXCR4 P61073 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SCN9A Q15858 1/20 0.38
WNT1 P04628 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
KDM5C P41229 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KMO O15229 2/20 0.36
PPARG P37231 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
EPHX2 P34913 1/20 0.36
CCR2 P41597 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL5111733 0.92 SLC6A4 (0.45) SLC6A4KDM4EALDH1A1SCN9AKDM5C
SCHEMBL5117800 0.91 SLC6A4 (0.42) SLC6A4KDM4EALDH1A1SCN9AWNT1
SCHEMBL5110646 0.91 SLC6A4 (0.46) SLC6A4KDM4EALDH1A1HPGDKDM5C
SCHEMBL14276265 0.90 PIK3CA (0.40) SLC6A4KDM4EALDH1A1HPGDTP53
SCHEMBL5114026 0.84 MET (0.37) KDM4EALDH1A1KMOTSHRCCR2
SCHEMBL5125532 0.83 PPARG (0.48) KDM4EALDH1A1HPGDPPARGCCR2
SCHEMBL5124452 0.83 PPARG (0.40) KDM4EALDH1A1HPGDPPARGCCR2
SCHEMBL5117903 0.83 PPARG (0.39) KDM4EALDH1A1HPGDPPARGCCR2
SCHEMBL5685433 0.82 GSK3A (0.47)
SCHEMBL5685427 0.81 SRC (0.46)

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 10 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-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
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
US-20040186114-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-09-23 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 (2 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-20040186114-A1 Cytokine inhibitors IL1A, IL1B, IL1R1 SLC6A4 4862/4885CXCR4 363/4885KDM4E 3470/4885
US-20060235017-A1 Cytokine Inhibitors IL1B, IL1A, IL1R1 SLC6A4 4868/4885CXCR4 448/4885KDM4E 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.