SCHEMBL1785557

SCHEMBL1785557

O=C(O)c1csc(-c2ccc(O)cc2)n1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.73
HPGDS O60760 1/20 0.56
KDM4E B2RXH2 1/20 0.54
HSD17B1 P14061 1/20 0.53
HSD17B2 P37059 1/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
PLA2G10 O15496 1/20 0.52
PTPN1 P18031 1/20 0.52
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
TLR7 Q9NYK1 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP19A1 P11511 1/20 0.49

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
SCHEMBL26319518 0.86 ALDH1A1 (0.73) ALDH1A1HPGDSKDM4EHDAC1HDAC8
SCHEMBL2104811 0.86 ALDH1A1 (0.73) ALDH1A1HPGDSKDM4EHDAC1HDAC8
SCHEMBL352152 0.85 HPGDS (0.73) ALDH1A1HPGDSKDM4EHDAC1HDAC8
SCHEMBL1785268 0.84 HTR2B (0.59) ALDH1A1KDM4EHSD17B1HSD17B2HDAC1
SCHEMBL24136179 0.84 ALDH1A1 (0.71) ALDH1A1HPGDSKDM4EHDAC1HDAC8
SCHEMBL3412110 0.84 ALDH1A1 (0.71) ALDH1A1HPGDSKDM4EHDAC1HDAC8
SCHEMBL3098211 0.84 ALDH1A1 (1.00) ALDH1A1HPGDSKDM4EHDAC1HDAC8
SCHEMBL15754791 0.84 ALDH1A1 (0.71) ALDH1A1HPGDSKDM4EHDAC1HDAC8
SCHEMBL10037306 0.84 ALDH1A1 (0.71) ALDH1A1HPGDSKDM4EHDAC1HDAC8
SCHEMBL2554731 0.84 HDAC1 (0.71) ALDH1A1HPGDSKDM4EHDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023170024-A1 CAMK2 MODULATORS AND THEIR USE IN MEDICINE UNIVERSITY OF COPENHAGEN (DK) 2023-09-14 WO disclosed
CN-102516115-B As the antagonist of Opioid Receptors or the new compound of inverse agonist SMITHKLINE BEECHAN CORP. (US) 2016-05-11 CN 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
CN-103980151-A Novel compounds as antagonists or inverse agonists at opioid receptors SMITHKLINE BEECHAM CORP 2014-08-13 CN disclosed
CN-101522614-B Compounds as antagonists or inverse agonists of opioid receptors SMITHKLINE BEECHAM CORP 2014-06-25 CN 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-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
EP-2054383-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SmithKline Beecham Corporation (US) 2009-05-06 EP disclosed
WO-2008021849-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 WO disclosed
EP-0262873-B1 N-TETRAZOLYL THIAZOLECARBOXAMIDE DERIVATIVES AND THEIR USE SAWAI PHARMACEUTICAL CO., LTD. (JP) 1991-08-21 EP disclosed
US-4879295-A ANTIALLERGENS SAWAI PHARMACEUTICAL CO., LTD. (JP) 1989-11-07 US disclosed
EP-0262873-A1 N-tetrazolyl thiazolecarboxamide derivatives and their use SAWAI PHARMACEUTICAL CO., LTD. (JP) 1988-04-06 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 (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 ALDH1A1 3500/4885HPGDS 1061/4885KDM4E 3829/4885
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 ALDH1A1 4254/4885HPGDS 2108/4885KDM4E 2806/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 ALDH1A1 3500/4885HPGDS 1061/4885KDM4E 3829/4885
US-20140100255-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 ALDH1A1 3500/4885HPGDS 1061/4885KDM4E 3829/4885

“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.