SCHEMBL4853202

SCHEMBL4853202

CC(=O)OCCn1c(=O)c(C#N)c(N2CCN(C(=O)c3cccs3)CC2)c2cccnc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KCNA5 P22460 8/20 0.45
DCTPP1 Q9H773 1/20 0.41
MAPK1 P28482 3/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 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
SCHEMBL14195252 0.91 ALDH1A1 (0.45) ALDH1A1KCNA5DCTPP1MAPK1LMNA
SCHEMBL4856567 0.90 ALDH1A1 (0.48) ALDH1A1KCNA5DCTPP1MAPK1LMNA
SCHEMBL4849839 0.89 ALDH1A1 (0.47) ALDH1A1KCNA5DCTPP1MAPK1LMNA
SCHEMBL14195251 0.88 ALDH1A1 (0.48) ALDH1A1KCNA5DCTPP1MAPK1LMNA
SCHEMBL4851476 0.86 ALDH1A1 (0.52) ALDH1A1KCNA5DCTPP1MAPK1LMNA
SCHEMBL4858363 0.86 ALDH1A1 (0.45) ALDH1A1KCNA5DCTPP1MAPK1LMNA
SCHEMBL4848251 0.86 ALDH1A1 (0.45) ALDH1A1KCNA5DCTPP1MAPK1LMNA
SCHEMBL4856561 0.86 ALDH1A1 (0.48) ALDH1A1KCNA5DCTPP1MAPK1LMNA
SCHEMBL4850922 0.84 HTT (0.49) ALDH1A1MAPK1LMNAKDM4EMAPT
SCHEMBL14194804 0.84 ALDH1A1 (0.48) ALDH1A1KCNA5DCTPP1MAPK1LMNA

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
US-7361760-B2 Substituted naphthyridine derivatives as inhibitors of macrophage migration inhibitory factor and their use in the treatment of human diseases AVANIR PHARMACEUTICALS (US) 2008-04-22 US disclosed
US-7361760-B2 Substituted naphthyridine derivatives as inhibitors of macrophage migration inhibitory factor and their use in the treatment of human diseases AVANIR PHARMACEUTICALS (US) 2008-04-22 US disclosed
US-7361760-B2 Substituted naphthyridine derivatives as inhibitors of macrophage migration inhibitory factor and their use in the treatment of human diseases AVANIR PHARMACEUTICALS (US) 2008-04-22 US disclosed
US-20070191388-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AS INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2007-08-16 US disclosed
US-20070191388-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AS INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2007-08-16 US disclosed
US-20070191388-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AS INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2007-08-16 US disclosed
US-20050124604-A1 Substituted naphthyridine derivatives as inhibitors of macrophage migration inhibitory factor and their use in the treatment of human diseases AVANIR PHARMACEUTICALS, INC. 2005-06-09 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-20070191388-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AS INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES MIF, MSR1, SLC11A2 ALDH1A1 2477/4885KCNA5 4392/4885DCTPP1 3291/4885
US-20050124604-A1 Substituted naphthyridine derivatives as inhibitors of macrophage migration inhibitory factor and their use in the treatment of human diseases MIF, MSR1, SLC11A2 ALDH1A1 2477/4885KCNA5 4392/4885DCTPP1 3291/4885

“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.