Sugi Predict

Sugi Predict / Compounds / SCHEMBL162075

SCHEMBL162075

SCHEMBL162075

O=C(O)/C=C/c1cccc2c1OCO2

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.77
▸ MAOB P27338 4/20 0.59
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ CA4 P22748 1/20 0.47
▸ GSK3B P49841 1/20 0.46
▸ AR P10275 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ PARP1 P09874 1/20 0.44
▸ PTGER3 P43115 2/20 0.42
▸ PTGER2 P43116 2/20 0.42
▸ PTGER4 P35408 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CNKSR1 Q969H4 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ TBXA2R P21731 1/20 0.40

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
SCHEMBL162076 1.00 KDM4E (0.77) KDM4EMAOBCA1CA2NFKB1
SCHEMBL8489573 0.95 KDM4E (0.70) KDM4EMAOBCA1CA2NFKB1
SCHEMBL8489579 0.95 KDM4E (0.70) KDM4EMAOBCA1CA2NFKB1
SCHEMBL3570478 0.88 MAOB (0.60) KDM4EMAOBNFKB1GSK3BDRD2
SCHEMBL3570479 0.88 MAOB (0.60) KDM4EMAOBNFKB1GSK3BDRD2
SCHEMBL1536573 0.87 KDM4E (1.00) KDM4EMAOBCA1CA2NFKB1
SCHEMBL1536574 0.87 KDM4E (1.00) KDM4EMAOBCA1CA2NFKB1
SCHEMBL5478840 0.85 MAOB (0.61) KDM4EMAOBGSK3BMAPTDRD2
SCHEMBL5478845 0.85 MAOB (0.61) KDM4EMAOBGSK3BMAPTDRD2
SCHEMBL6851140 0.84 KDM4E (0.57) KDM4EMAOBCA1CA2NFKB1

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200385340-A1 HEPATITIS C ANTIVIRAL COMPOSITIONS AND METHODS BIOTRON LTD (AU) 2020-12-10 — — US disclosed
US-10683263-B2 Antiviral compounds and methods BIOTRON LIMITED (AU) 2020-06-16 — — US disclosed
EP-2826770-B1 ACYLGUANIDINE COMPOUNDS WITH ANTIVIRAL ACTIVITY BIOTRON LTD (AU) 2018-09-12 — — EP disclosed
US-20170362170-A1 HEPATITIS C ANTIVIRAL COMPOSITIONS AND METHODS BIOTRON LTD (AU) 2017-12-21 — — US disclosed
US-20160376231-A1 ANTIVIRAL COMPOUNDS AND METHODS BIOTRON LIMITED (AU) 2016-12-29 — — US disclosed
EP-2659885-B1 Hepatitis C Antiviral Compositions and Methods BIOTRON LTD (AU) 2016-11-09 — — EP disclosed
US-9440926-B2 Antiviral compounds and methods BIOTRON LIMITED (AU) 2016-09-13 — — US disclosed
EP-2194976-B1 Hepatitis C antiviral compositions comprising 5-(1-methylpyrazol-4-yl)2-naphthoylguanidine and 2'-C-methyladenosine or 2'-C-methylcytidine BIOTRON LTD (AU) 2015-12-09 — — EP disclosed
US-20150023921-A1 HEPATITIS C ANTIVIRAL COMPOSITIONS AND METHODS BIOTRON LIMITED (AU) 2015-01-22 — — US disclosed
EP-2826770-A1 Acylguanidine compounds with antiviral activity Biotron Limited (AU) 2015-01-21 — — EP disclosed
WO-2000047576-A1 CINNAMIDE DERIVATIVES AS OREXIN-1 RECEPTORS ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-08-17 — — WO disclosed
EP-1027043-A1 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS Bristol-Myers Squibb Company (US) 2000-08-16 — — EP disclosed
US-6060506-A FOR TREATMENT OF SLEEP DISORDERS, CIRCADIAN RHYTHM DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-05-09 — — US disclosed
CN-1239886-A Benzodioxole, benzofuran, dihydrobenzofuran, and benzodioxane melatonergic agent BRISTOL MYERS SQUIBB CO (US) 1999-12-29 — — CN disclosed
US-5981571-A USEFUL AS MELATONERGIC AGENTS IN THE TREATMENT OF SLEEP DISORDERS, SEASONAL DEPRESSION, SHIFTS IN CIRCADIAN CYCLES, MELANCHOLIA, STRESS, APPETITE REGULATION, BENIGN PROSTATIC HYPERPLASIA AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-11-09 — — US disclosed
US-5981541-A ACRIDINE DERIVATIVES; ANTICANCER AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1999-11-09 — — US disclosed
EP-0950054-A1 SUBSTITUTED HETEROCYCLES AS ANTI-TUMOR AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1999-10-20 — — EP disclosed
WO-1998025606-A1 BENZODIOXOLE, BENZOFURAN, DIHYDROBENZOFURAN, AND BENZODIOXANE MELATONERGIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-06-18 — — WO disclosed
WO-1998012181-A1 SUBSTITUTED HETEROCYCLES AS ANTI-TUMOR AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1998-03-26 — — WO disclosed
EP-0158211-A2 1,4-Dihydropyridin derivatives, process for their preparation and their uses as medicaments LABORATORIOS DELAGRANGE S.A. (ES) 1985-10-16 — — EP 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 (5 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-20150023921-A1 HEPATITIS C ANTIVIRAL COMPOSITIONS AND METHODS HAVCR2, HCCS, EIF2AK2 KDM4E 3855/4885MAOB 883/4885CA1 3095/4885
US-10683263-B2 Antiviral compounds and methods MAVS, ZC3HAV1, EIF2AK2 KDM4E 2925/4885MAOB 1895/4885CA1 4030/4885
US-20170362170-A1 HEPATITIS C ANTIVIRAL COMPOSITIONS AND METHODS HAVCR2, HCCS, EIF2AK2 KDM4E 3855/4885MAOB 883/4885CA1 3095/4885
US-20160376231-A1 ANTIVIRAL COMPOUNDS AND METHODS MAVS, ZC3HAV1, EIF2AK2 KDM4E 2925/4885MAOB 1895/4885CA1 4030/4885
US-20200385340-A1 HEPATITIS C ANTIVIRAL COMPOSITIONS AND METHODS HAVCR2, HCCS, EIF2AK2 KDM4E 3855/4885MAOB 883/4885CA1 3095/4885

“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.