Sugi Predict

Sugi Predict / Compounds / SCHEMBL5383983

SCHEMBL5383983

SCHEMBL5383983

COc1cc(O)c(CNCCc2ccc([N+](=O)[O-])cc2)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDC25C P30307 2/20 0.60
▸ CA12 O43570 2/20 0.54
▸ CA1 P00915 2/20 0.54
▸ CA2 P00918 2/20 0.54
▸ CA4 P22748 2/20 0.54
▸ CA9 Q16790 1/20 0.54
▸ HTR2A P28223 2/20 0.52
▸ KMT2A Q03164 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ KCNH2 Q12809 2/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 1/20 0.46

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
SCHEMBL18177863 0.78 CDC25C (0.64) CDC25CCA12CA1CA2CA4
SCHEMBL6600291 0.77 MEN1 (0.51) CDC25CKMT2AMAPTMEN1KCNH2
Hydrochloric Acid SCHEMBL27940290 0.76 CA12 (0.64) CDC25CCA12CA1CA2CA4
SCHEMBL1917474 0.75 CDC25C (1.00) CDC25CCA12CA1CA2CA4
SCHEMBL9089402 0.75 CDC25C (0.69) CDC25CCA12CA1CA2CA4
SCHEMBL5383934 0.73 MEN1 (0.47) CDC25CKMT2AMAPTMEN1KCNH2
SCHEMBL8611447 0.73 ERN1 (0.44) SMN1; SMN2
SCHEMBL7492870 0.72 MAPT (0.46) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL7365073 0.72 MEN1 (0.60) CDC25CKMT2AMAPTMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL7279382 0.72 KCNH2 (0.71) CDC25CCA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285664-B2 Heterocyclic or benzenic derivatives of lipoic acid, their preparation and their use as medicaments S.C.R.A.S. SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 2007-10-23 — — US disclosed
US-20050227991-A1 New heterocyclic or benzenic derivatives of lipoic acid, their preparation and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2005-10-13 — — US disclosed
US-6936715-B2 Lipoic acid heterocyclic or benzene derivatives, preparation and use thereof as medicines SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 2005-08-30 — — US disclosed
US-6887891-B2 Derivatives of lipoic acid, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2005-05-03 — — US disclosed
EP-1265891-B1 NOVEL LIPOIC ACID HETEROCYCLIC OR BENZENE DERIVATIVES, PREPARATION AND USE THEREOF AS MEDICINES CONSEILS DE RECH SET D APPLIC (FR) 2004-12-29 — — EP disclosed
CN-1173969-C Novel lipoic acid derivatives, their prepn., and pharmaceutical compositions containing them ��ѧ�о���Ӧ����ѯ��˾ 2004-11-03 — — CN disclosed
US-20040019084-A1 New derivatives of lipoic acid, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATION SCIENTIFIQUES (S.C.R.A.S) 2004-01-29 — — US disclosed
EP-1169316-B9 NOVEL LIPOIC ACID DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOD CONSEILS RECH APPLIC (FR) 2003-10-29 — — EP disclosed
US-6605637-B1 Nitrogen monoxide synthase inhibitors; such as n-(4-(((2-thienyl)(imino)methyl)amino)phenyl)-1,2-dithiolane-3-pentamide SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-08-12 — — US disclosed
US-20030105107-A1 Novel lipoic acid heterocyclic or benzene derivatives, preparation and use thereof as medicines IPSEN PHARMA S.A.S. (FR) 2003-06-05 — — US disclosed
EP-1169316-B1 NOVEL LIPOIC ACID DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOD CONSEILS RECH APPLIC (FR) 2003-03-05 — — EP disclosed
EP-1169316-A1 NOVEL LIPOIC ACID DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-01-09 — — EP disclosed
WO-2000059899-A1 NOVEL LIPOIC ACID DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEIL DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-10-12 — — 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 (3 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-20040019084-A1 New derivatives of lipoic acid, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS1, NOS2, LPO CDC25C 2166/4885CA12 3398/4885CA1 2233/4885
US-20030105107-A1 Novel lipoic acid heterocyclic or benzene derivatives, preparation and use thereof as medicines LTC4S, LPO, COASY CDC25C 1636/4885CA12 3302/4885CA1 2151/4885
US-20050227991-A1 New heterocyclic or benzenic derivatives of lipoic acid, their preparation and their use as medicaments LPO, LTC4S, BBOX1 CDC25C 1549/4885CA12 3272/4885CA1 1764/4885

“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.