SCHEMBL4856128

SCHEMBL4856128

O=C(c1cccs1)N1CCN(c2c([N+](=O)[O-])c(=O)n(Cc3ccccc3)c3ncccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 10/20 0.46
KDM4E B2RXH2 5/20 0.45
LMNA P02545 3/20 0.45
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
PARP1 P09874 1/20 0.42
MAPK10 P53779 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL13294701 0.87 HSPD1 (0.53) SMN1; SMN2HTTALDH1A1KDM4ELMNA
SCHEMBL4853026 0.86 HTT (0.51) SMN1; SMN2HTTALDH1A1KDM4ELMNA
SCHEMBL14223840 0.85 HTT (0.49) SMN1; SMN2HTTALDH1A1KDM4ELMNA
SCHEMBL4850922 0.85 HTT (0.49) SMN1; SMN2HTTALDH1A1KDM4ELMNA
SCHEMBL13295063 0.85 ALDH1A1 (0.50) SMN1; SMN2HTTALDH1A1KDM4ELMNA
SCHEMBL4852889 0.84 SMN1; SMN2 (0.48) SMN1; SMN2HTTALDH1A1KDM4ELMNA
SCHEMBL14195254 0.83 HTT (0.47) SMN1; SMN2HTTALDH1A1KDM4ELMNA
SCHEMBL13294830 0.82 SMN1; SMN2 (0.48) SMN1; SMN2HTTALDH1A1KDM4ELMNA
SCHEMBL4849584 0.82 MEN1 (0.47) SMN1; SMN2HTTALDH1A1KDM4ELMNA
SCHEMBL13295021 0.81 ALDH1A1 (0.48) SMN1; SMN2HTTALDH1A1KDM4ELMNA

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 9 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
EP-1656376-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AS INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES Avanir Pharmaceuticals (US) 2006-05-17 EP 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
WO-2005021546-A1 SUBSTITUTED NAPHTHYRIDINE DERIVATIVES AS INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES AVANIR PHARMACEUTICALS (US) 2005-03-10 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 (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 SMN1; SMN2 2412/4885HTT 4599/4885ALDH1A1 2477/4885
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 SMN1; SMN2 2412/4885HTT 4599/4885ALDH1A1 2477/4885

“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.