Sugi Predict

Sugi Predict / Compounds / SCHEMBL836488

SCHEMBL836488

SCHEMBL836488

N=C(Cc1cccs1)NO

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ RAB9A P51151 2/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ POLB P06746 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GAPDH P04406 1/20 0.41

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
SCHEMBL10344961 0.76 HPGD (0.68) HPGDALDH1A1RAB9AKMT2ANPC1
SCHEMBL6990216 0.75 — —
SCHEMBL20633288 0.75 — —
Hydrochloric Acid SCHEMBL14059762 0.73 ADRA2A (0.55) HPGDALDH1A1RAB9AKMT2ANPC1
SCHEMBL8309808 0.71 — —
SCHEMBL10332568 0.71 — —
SCHEMBL1170674 0.71 — —
SCHEMBL19143435 0.71 CYP2C19 (0.52) HPGDALDH1A1RAB9AKMT2ANPC1
SCHEMBL9185531 0.71 HPGD (0.66) HPGDALDH1A1RAB9AKMT2ANPC1
SCHEMBL9251131 0.70 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2272848-B1 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-12-26 — — EP disclosed
EP-1444225-B1 PYRROLIDINE OXADIAZOLE- AND THIADIAZOLE OXIME DERIVATIVES BEING OXYTOCIN RECEPTOR ANTAGONISTS. MERCK SERONO SA (CH) 2012-10-10 — — EP disclosed
US-8143264-B2 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-03-27 — — US disclosed
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GLAXOSMITHKLINE LLC 2011-10-20 — — US disclosed
EP-2272848-A1 Xanthine derivatives as selective HM74A agonists Glaxosmithkline LLC (US) 2011-01-12 — — EP disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 — — US disclosed
US-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-07-01 — — US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 — — US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 — — US disclosed
EP-1861384-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Sterix Limited (GB) 2007-12-05 — — EP disclosed
US-20060229343-A1 Pyrrolidine oxadiazole-and thiadiazole oxime derivatives being oxytocin receptor antagonists APPLIED RESEARCH SYSTEMS ARS HOLDDING N.V. (NL) 2006-10-12 — — US disclosed
US-7115639-B2 Pyrrolidine oxadiazole- and thiadiazole oxime derivatives being oxytocin receptor antagonists APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-10-03 — — US disclosed
WO-2006100502-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS STERIX LIMITED (GB) 2006-09-28 — — WO disclosed
EP-1339710-B1 3-OXADIAZOL-5-YL-1-AMINOALKYL-1H-INDOLE DERIVATIVES AMRAD OPERATIONS PTY LTD (AU) 2006-03-01 — — EP disclosed
US-6930118-B2 3-Oxadiazol-5-yl-1-aminoalkyl-1h-indole derivatives AMRAD OPERATIONS PTY. LTD. (AU) 2005-08-16 — — US disclosed
US-20040220238-A1 Pyrrolidine oxadiazole-and thiadiazole derivatives MERCK SERONO SA (CH) 2004-11-04 — — US disclosed
EP-1339710-A4 3-OXADIAZOL-5-YL-1-AMINOALKYL-1H-INDOLE DERIVATIVES AMRAD OPERATIONS PTY LTD (AU) 2004-05-12 — — EP disclosed
US-20040034073-A1 3-Oxadiazol-5-yl-1-aminoalkyl-1h-indole derivatives AMRAD OPERATIONS PTY. LTD. (AU) 2004-02-19 — — US disclosed
EP-1339710-A1 3-OXADIAZOL-5-YL-1-AMINOALKYL-1H-INDOLE DERIVATIVES Amrad Operations Pty.,Ltd. (AU) 2003-09-03 — — EP disclosed
WO-2002036590-A1 3-OXADIAZOL-5-YL-1-AMINOALKYL-1H-INDOLE DERIVATIVES AMRAD OPERATIONS PTY LTD (AU) 2002-05-10 — — 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 (8 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-20040034073-A1 3-Oxadiazol-5-yl-1-aminoalkyl-1h-indole derivatives CNR1, CNR2, OPRK1 HPGD 1255/4885ALDH1A1 497/4885RAB9A 2178/4885
US-20040220238-A1 Pyrrolidine oxadiazole-and thiadiazole derivatives OXTR, PRLHR, PGF HPGD 61/4885ALDH1A1 1541/4885RAB9A 4127/4885
US-20060229343-A1 Pyrrolidine oxadiazole-and thiadiazole oxime derivatives being oxytocin receptor antagonists OXTR, PRLHR, OXER1 HPGD 94/4885ALDH1A1 2144/4885RAB9A 4367/4885
US-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, XDH, GPR88 HPGD 324/4885ALDH1A1 514/4885RAB9A 1775/4885
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, GPR88, XDH HPGD 439/4885ALDH1A1 856/4885RAB9A 1905/4885
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 HPGD 368/4885ALDH1A1 600/4885RAB9A 1728/4885
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors HSD3B1, HSD3B2, HSD11B1 HPGD 330/4885ALDH1A1 437/4885RAB9A 2432/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 HPGD 3581/4885ALDH1A1 3143/4885RAB9A 2176/4885

“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.