Sugi Predict

Sugi Predict / Compounds / SCHEMBL1787654

SCHEMBL1787654

SCHEMBL1787654

NC(=O)c1ccc(-c2ccc(OCCCl)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 13/20 0.62
▸ PARP15 Q460N3 5/20 0.54
▸ PARP2 Q9UGN5 3/20 0.54
▸ PARP4 Q9UKK3 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ PARP14 Q460N5 1/20 0.50
▸ PARP16 Q8N5Y8 1/20 0.50
▸ PARP11 Q9NR21 1/20 0.50
▸ CHEK2 O96017 1/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.49
▸ TBXAS1 P24557 1/20 0.48
▸ MAOB P27338 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ PARP1 P09874 1/20 0.47
▸ RARB P10826 3/20 0.46
▸ PRSS1 P07477 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
SCHEMBL3085074 0.95 PARP10 (0.68) PARP10PARP15PARP2PARP4ALDH1A1
SCHEMBL1977030 0.87 PARP10 (0.68) PARP10PARP15PARP2PARP4ALDH1A1
SCHEMBL3082936 0.86 PARP10 (0.66) PARP10PARP15PARP2PARP4ALDH1A1
SCHEMBL28188904 0.86 PARP10 (0.59) PARP10PARP15PARP2PARP4ALDH1A1
SCHEMBL1787739 0.85 CHEK2 (0.56) PARP10PARP15PARP2PARP14CHEK2
SCHEMBL1787718 0.85 FYN (0.50) PARP10PARP15PARP2PARP14
SCHEMBL1785980 0.83 PARP10 (0.62) PARP10PARP15PARP2PARP4ALDH1A1
SCHEMBL1787814 0.82 CYP11B2 (0.55) PARP10CHEK2
SCHEMBL77571 0.82 PARP10 (0.70) PARP10PARP15PARP2PARP4ALDH1A1
SCHEMBL1786774 0.81 FFAR4 (0.51) PARP10PARP15PARP14CHEK2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC 2014-10-30 — — US disclosed
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC 2014-10-30 — — US disclosed
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC 2014-10-30 — — US disclosed
US-8822518-B2 Compounds as antagonists or inverse agonists of opioid receptors for treatment of addiction GLAXOSMITHKLINE LLC (US) 2014-09-02 — — US disclosed
US-8822518-B2 Compounds as antagonists or inverse agonists of opioid receptors for treatment of addiction GLAXOSMITHKLINE LLC (US) 2014-09-02 — — US disclosed
US-8822518-B2 Compounds as antagonists or inverse agonists of opioid receptors for treatment of addiction GLAXOSMITHKLINE LLC (US) 2014-09-02 — — US disclosed
US-20140100255-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC (US) 2014-04-10 — — US disclosed
US-8633175-B2 Compounds as antagonists or inverse agonists at opioid receptors GLAXOSMITHKLINE LLC (US) 2014-01-21 — — US disclosed
US-8633175-B2 Compounds as antagonists or inverse agonists at opioid receptors GLAXOSMITHKLINE LLC (US) 2014-01-21 — — US disclosed
US-8633175-B2 Compounds as antagonists or inverse agonists at opioid receptors GLAXOSMITHKLINE LLC (US) 2014-01-21 — — US disclosed
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 — — US disclosed
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 — — US disclosed
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 — — US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 — — US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 — — US disclosed
WO-2008021849-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 — — 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-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 PARP10 3417/4885PARP15 4307/4885PARP2 4515/4885
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 PARP10 4470/4885PARP15 4664/4885PARP2 4265/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 PARP10 3417/4885PARP15 4307/4885PARP2 4515/4885
US-20140100255-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 PARP10 3417/4885PARP15 4307/4885PARP2 4515/4885

“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.