Sugi Predict

Sugi Predict / Compounds / SCHEMBL282160

SCHEMBL282160

SCHEMBL282160

O=C(O)c1cc(O)c2ccc([N+](=O)[O-])cc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.59
▸ IGFBP3 P17936 1/20 0.55
▸ GPR35 Q9HC97 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TDP1 Q9NUW8 3/20 0.43
▸ ACHE P22303 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ MCL1 Q07820 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ TXNRD1 Q16881 1/20 0.41
▸ TXNRD3 Q86VQ6 1/20 0.41
▸ TXNRD2 Q9NNW7 1/20 0.41
▸ ELANE P08246 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
SCHEMBL2910393 0.91 ALDH1A1 (0.67) ALDH1A1IGFBP3GPR35TP53HPGD
SCHEMBL2902589 0.83 ALDH1A1 (0.51) ALDH1A1IGFBP3ACHEGAAPOLB
SCHEMBL2905794 0.79 IGFBP5 (0.46) ALDH1A1IGFBP3TSHRTDP1ALOX15
SCHEMBL2902980 0.78 ALOX15 (0.47) ALDH1A1IGFBP3HPGDTSHRSMN1; SMN2
SCHEMBL1207982 0.77 ALDH1A1 (0.57) ALDH1A1IGFBP3HPGDSMN1; SMN2TDP1
7-Chlorokynurenic Acid SCHEMBL157187 0.76 IGFBP3 (0.47) ALDH1A1IGFBP3HPGDPOLB
7-Chlorokynurenic Acid SCHEMBL31238955 0.76 IGFBP3 (0.47) ALDH1A1IGFBP3HPGDPOLB
7-Chlorokynurenic Acid SCHEMBL29386783 0.76 IGFBP3 (0.47) ALDH1A1IGFBP3HPGDPOLB
SCHEMBL2909734 0.76 MCL1 (0.44) ALDH1A1IGFBP3SMN1; SMN2ALOX15MCL1
SCHEMBL2909106 0.76 IGFBP5 (0.45) ALDH1A1IGFBP3ALOX15GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957087-B2 Heterocyclic substituted acardite derivate and application thereof Jiangsu Provincial Institute of Materia Medica Co., Ltd. (CN) 2015-02-17 — — US disclosed
EP-2428506-B1 HETEROCYCLIC SUBSTITUTED ACARDITE DERIVATES AND USE THEREOF NANJING LUYESIKE PHARMACEUTICAL CO LTD (CN) 2014-03-05 — — EP disclosed
CN-101671301-B Heterocyclic substituent acardite derivate and application thereof JIANGSU PROVINCIAL INST OF MATERIA MEDICA CO LTD 2014-02-26 — — CN disclosed
EP-2428506-A1 HETEROCYCLIC SUBSTITUTED ACARDITE DERIVATES AND USE THEREOF Jiangsu Provincial Institute Of Materia Medica Co. (CN) 2012-03-14 — — EP disclosed
US-20120053192-A1 Heterocyclic Substituted Acardite Derivate and Application Thereof NANJING LUYESIKE PHARMACEUTICAL CO., LTD. (CN) 2012-03-01 — — US disclosed
EP-1578423-B1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS BAYER SCHERING PHARMA AG (DE) 2010-08-18 — — EP disclosed
CN-101671301-A Heterocyclic substituent acardite derivate and application thereof JIANGSU PROVINCIAL INST OF MAT 2010-03-17 — — CN disclosed
US-7176207-B2 Anticoagulants; antithrombotic agents in the treatment and prevention of thrombosis SCHERING AKTIENGESELLSCHAFT (DE) 2007-02-13 — — US disclosed
US-7084142-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-08-01 — — US disclosed
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-22 — — US disclosed
US-6995156-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2006-02-07 — — US disclosed
EP-1578423-A1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-09-28 — — EP disclosed
US-20050065163-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-03-24 — — US disclosed
US-6861424-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-03-01 — — US disclosed
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-02-17 — — US disclosed
US-20040138229-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2004-07-15 — — US disclosed
WO-2004052366-A1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-06-24 — — WO disclosed
EP-1412349-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS Schering Aktiengesellschaft (DE) 2004-04-28 — — EP disclosed
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2003-03-27 — — US disclosed
WO-2002098856-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2002-12-12 — — 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 (6 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-20050065163-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R ALDH1A1 745/4885IGFBP3 3464/4885GPR35 1218/4885
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R ALDH1A1 745/4885IGFBP3 3464/4885GPR35 1218/4885
US-20120053192-A1 Heterocyclic Substituted Acardite Derivate and Application Thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IDH1, CA7 ALDH1A1 112/4885IGFBP3 3205/4885GPR35 2068/4885
US-20040138229-A1 Platelet adenosine diphosphate receptor antagonists TBXA2R, ADORA1, P2RY1 ALDH1A1 817/4885IGFBP3 3914/4885GPR35 1428/4885
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, TBXA2R, ADORA2B ALDH1A1 585/4885IGFBP3 3531/4885GPR35 1412/4885
US-20060135532-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, ADORA2B, TBXA2R ALDH1A1 705/4885IGFBP3 3490/4885GPR35 1190/4885

“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.