Sugi Predict

Sugi Predict / Compounds / SCHEMBL590484

SCHEMBL590484

SCHEMBL590484

O=C(NCc1ccncc1)Oc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 2/20 0.77
▸ HTT P42858 3/20 0.61
▸ MMP13 P45452 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ MAPK14 Q16539 1/20 0.61
▸ NPC1 O15118 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ CYP19A1 P11511 1/20 0.59
▸ ALDH1A1 P00352 2/20 0.58
▸ GAA P10253 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ PKM P14618 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.54
▸ MGLL Q99685 1/20 0.53
▸ FAAH O00519 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.51

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
SCHEMBL5108159 0.88 NPC1 (0.69) EPHX1HTTNPC1RAB9AALDH1A1
SCHEMBL27744398 0.88 EPHX1 (0.70) EPHX1HTTMMP13SMN1; SMN2LMNA
SCHEMBL4194731 0.87 EPHX1 (1.00) EPHX1MMP13FAAH
SCHEMBL17552096 0.84 NPC1 (0.69) EPHX1HTTNPC1RAB9AALDH1A1
SCHEMBL27584157 0.84 CYP3A4 (0.64) EPHX1HTTSMN1; SMN2LMNACYP3A4
SCHEMBL27687099 0.83 EPHX1 (0.70) EPHX1HTTSMN1; SMN2LMNACYP3A4
SCHEMBL3430736 0.83 EPHX1 (0.79) EPHX1HTTSMN1; SMN2LMNACYP3A4
SCHEMBL29881595 0.83 EPHX1 (0.79) EPHX1HTTSMN1; SMN2LMNACYP3A4
SCHEMBL1680843 0.82 NPC1 (0.71) EPHX1HTTMMP13SMN1; SMN2LMNA
SCHEMBL9263805 0.82 NPC1 (0.67) EPHX1HTTMMP13SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 — — US disclosed
WO-2012002502-A1 DIHYDROPYRIMIDINONE DERIVATIVE AND PHARMACEUTICAL USE THEREOF 大日本住友製薬株式会社 (JP) 2012-01-05 — — WO disclosed
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 — — US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 — — US disclosed
EP-2012759-B1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2010-03-10 — — EP disclosed
US-20090240045-A1 Organic Compounds NOVARTIS AG 2009-09-24 — — US disclosed
EP-1942890-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2009-08-26 — — EP disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 — — US disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 — — US disclosed
EP-2018381-A2 USE OF 2-(PURIN-9-YL)-TETRAHYDOFURAN-3,4-DIOL DERIVATIVES AS ADENOSINE A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-28 — — EP disclosed
EP-1019046-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM (US) 2002-11-27 — — EP disclosed
EP-1021405-B1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF HCMV INFECTIONS BOEHRINGER INGELHEIM CA LTD (CA) 2002-09-25 — — EP disclosed
US-6242439-B1 Azetidinone derivatives for the treatment of HCMV infections BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-06-05 — — US disclosed
US-6211170-B1 Azetidinone derivatives for the treatment of HCMV infections BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2001-04-03 — — US disclosed
EP-1023265-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF HCMV INFECTIONS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2000-08-02 — — EP disclosed
EP-1021405-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF HCMV INFECTIONS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2000-07-26 — — EP disclosed
EP-1019046-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-07-19 — — EP disclosed
WO-1999018073-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF HCMV INFECTIONS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1999-04-15 — — WO disclosed
WO-1999018072-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF HCMV INFECTIONS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1999-04-15 — — WO disclosed
WO-1998048799-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 — — 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 (4 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-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 EPHX1 1339/4885HTT 2334/4885MMP13 4220/4885
US-20090240045-A1 Organic Compounds CYP3A43, CYP3A4, SLCO1B3 EPHX1 2693/4885HTT 2133/4885MMP13 3740/4885
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 EPHX1 1384/4885HTT 4491/4885MMP13 1839/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 EPHX1 1384/4885HTT 4491/4885MMP13 1839/4885

“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.