Sugi Predict

Sugi Predict / Compounds / SCHEMBL797828

SCHEMBL797828

SCHEMBL797828

O=C(O)c1cnc2ccccc2c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ HAVCR2 Q8TDQ0 1/20 0.46
▸ ALDH1A1 P00352 7/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ HPGD P15428 4/20 0.46
▸ HTT P42858 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ LMNA P02545 3/20 0.44
▸ PDE10A Q9Y233 1/20 0.44
▸ GLA P06280 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ PPARG P37231 1/20 0.43

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
Hydrochloric Acid SCHEMBL7347258 0.98 MAOA (0.47) MAOAMAOBHAVCR2ALDH1A1KDM4E
Ethane SCHEMBL5505921 0.97 ALDH1A1 (0.46) MAOAMAOBHAVCR2ALDH1A1KDM4E
SCHEMBL4763773 0.86 MAOA (0.44) MAOAMAOBALDH1A1KDM4EHPGD
SCHEMBL2718502 0.84 SMN1; SMN2 (0.46) MAOAMAOBALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL7310865 0.84 LMNA (0.43) MAOAMAOBALDH1A1KDM4EHPGD
SCHEMBL2706557 0.84 KMT2A (0.47) MAOAMAOBALDH1A1KDM4EHTT
SCHEMBL2721434 0.83 LMNA (0.58) ALDH1A1KDM4EHPGDMAPTHSD17B10
Hydrochloric Acid SCHEMBL9872122 0.81 LMNA (0.60) ALDH1A1KDM4EHPGDMAPTHSD17B10
SCHEMBL9197736 0.81 USP2 (0.59) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL352547 0.80 PDE10A (0.50) ALDH1A1KDM4EHPGDHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140031355-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2014-01-30 — — US disclosed
CN-101448397-B Selective benzylamine derivatives and their use as cholesteryl ester transfer protein inhibitors REDDYS LAB LTD DR 2013-04-24 — — CN disclosed
US-20120071505-A1 SUBSTITUTED PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE TO TREAT OXIDATIVE STRESS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-03-22 — — US disclosed
WO-2011022216-A1 SUBSTITUTED PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE TO TREAT OXIDATIVE STRESS HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-24 — — WO disclosed
CN-1968928-A Heterocyclic derivatives for treatment of hyperlipidemia and related diseases AVANIR PHARMACEUTICALS (US) 2007-05-23 — — CN disclosed
CN-1249063-C Novel Immunomodulatory Compounds ACTIVE BIOTECH AB (SE) 2006-04-05 — — CN disclosed
CN-1186322-C Proline derivatives and use thereof as drugs MITSUBISHI PHARMACEUTICAL CO L (JP) 2005-01-26 — — CN disclosed
CN-1522254-A Novel Immunomodulatory Compounds ��Ծ���＼���ɷݹ�˾ 2004-08-18 — — CN disclosed
CN-1441779-A Proline derivatives and use thereof as drugs MITSUBISHI PHARMACEUTICAL CO L (JP) 2003-09-10 — — CN disclosed
EP-1021413-B1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS WYETH CORP (US) 2003-06-11 — — EP disclosed
CN-1097459-C Diazepino-indoles as phosphodiesterase IV inhibitors JOUVEINAL INST RECH (FR) 2003-01-01 — — CN disclosed
EP-0785789-B1 DIAZEPINO-INDOLES AS PHOSPHODIESTERASE IV INHIBITORS PFIZER (FR) 2002-09-11 — — EP disclosed
EP-1021413-A1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS American Cyanamid Company (US) 2000-07-26 — — EP disclosed
WO-1999018076-A1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO BICYCLIC HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-04-15 — — WO disclosed
CN-1160352-A Diaza * -oxindoles as phosphodiesterase IV inhibitors JOUVEINAL INST RECH (FR) 1997-09-24 — — CN disclosed
EP-0785789-A1 DIAZEPINO-INDOLES AS PHOSPHODIESTERASE IV INHIBITORS INSTITUT DE RECHERCHE JOUVEINAL (I.R.J) (FR) 1997-07-30 — — EP disclosed
WO-1996011690-A1 DIAZEPINO-INDOLES AS PHOSPHODIESTERASE IV INHIBITORS INSTITUT DE RECHERCHE JOUVEINAL (FR) 1996-04-25 — — WO disclosed
US-4971958-A CALCIUM METABOLISM BOEHRINGER MANNHEIM GMBH (DE) 1990-11-20 — — US disclosed
EP-0168309-A1 Isoxazoloquinolinone derivatives, process and intermediates for their preparation, use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1986-01-15 — — 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 (2 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-20120071505-A1 SUBSTITUTED PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE TO TREAT OXIDATIVE STRESS HMOX2, HMOX1, MPO MAOA 234/4885MAOB 201/4885HAVCR2 1206/4885
US-20140031355-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, SSB, MALT1 MAOA 1317/4885MAOB 1295/4885HAVCR2 1709/4885

“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.