Sugi Predict

Sugi Predict / Compounds / SCHEMBL559841

SCHEMBL559841

SCHEMBL559841

COc1ccc(CC(=O)C=[N+]=[N-])cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ CTBP2 P56545 1/20 0.47
▸ USP2 O75604 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ LDHA P00338 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ F2RL1 P55085 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ KMT2A Q03164 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
SCHEMBL558972 0.81 CTBP2 (0.52) HTTALDH1A1SMN1; SMN2CTBP2USP2
SCHEMBL16835972 0.81 ALDH1A1 (0.48) ALDH1A1CYP2C19SMN1; SMN2CTBP2NPC1
SCHEMBL16836020 0.80 LMNA (0.51) HTTALDH1A1CYP3A4CYP2C19SMN1; SMN2
SCHEMBL2320549 0.79 HTT (0.59) HTTALDH1A1CYP3A4CYP2C19SMN1; SMN2
SCHEMBL3152379 0.77 HTT (0.58) HTTALDH1A1CYP3A4CYP2C19SMN1; SMN2
SCHEMBL559523 0.77 TGM2 (0.40) HTTALDH1A1CYP2C19KMT2A
Water SCHEMBL11515624 0.77 HTT (0.58) HTTALDH1A1CYP3A4CYP2C19SMN1; SMN2
SCHEMBL11515828 0.77 NPC1 (0.43) HTTALDH1A1CYP3A4CYP2C19CTBP2
SCHEMBL18827708 0.77 HTT (0.58) HTTALDH1A1CYP3A4CYP2C19SMN1; SMN2
SCHEMBL5682297 0.77 CYP2C9 (0.53) ALDH1A1CYP3A4CYP2C19SMN1; SMN2CTBP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200039997-A1 SPIRO-OXAZOLONES HOFFMANN-LA ROCHE INC. (US) 2020-02-06 — — US disclosed
US-9645128-B2 Substituted imidazo[1,2-A]pyrazines for measuring a transcription activity JNC CORPORATION (JP) 2017-05-09 — — US disclosed
US-9645128-B2 Substituted imidazo[1,2-A]pyrazines for measuring a transcription activity JNC CORPORATION (JP) 2017-05-09 — — US disclosed
EP-3083633-A1 SPIRO-OXAZOLONES F.HOFFMANN-LA ROCHE AG (CH) 2016-10-26 — — EP disclosed
US-20150344936-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-12-03 — — US disclosed
US-20150344936-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-12-03 — — US disclosed
US-9151739-B2 Coelenterazine analogs and manufacturing method thereof JNC CORPORATION (JP) 2015-10-06 — — US disclosed
US-9151739-B2 Coelenterazine analogs and manufacturing method thereof JNC CORPORATION (JP) 2015-10-06 — — US disclosed
WO-2015091411-A1 SPIRO-OXAZOLONES F. HOFFMANN-LA ROCHE AG (CH) 2015-06-25 — — WO disclosed
US-20140296521-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF JNC CORP (JP) 2014-10-02 — — US disclosed
EP-1409468-B9 GUANIDINOBENZAMIDES AS MC4-R AGONISTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-07-29 — — EP disclosed
EP-1409468-B1 GUANIDINOBENZAMIDES AS MC4-R AGONISTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-11-12 — — EP disclosed
US-6995269-B2 Guanidinobenzamides CHIRON CORPORATION (US) 2006-02-07 — — US disclosed
EP-1409468-A2 GUANIDINOBENZAMIDES AS MC4-R AGONISTS CHIRON CORPORATION (US) 2004-04-21 — — EP disclosed
US-6638927-B2 Melanocortin-4 receptor (MC4-R) agonists; treating obesity or diabetes; 4-((N-cyclohexyl-3,5-dimethyl-piperazine-1-carboximidoyl)-amino)-N-(2-(2,4 -dichlorophenyl) -ethyl)-benzamide for example CHIRON CORPORATION 2003-10-28 — — US disclosed
US-20030199499-A1 Novel guanidinobenzamides CHIRON CORPORATION 2003-10-23 — — US disclosed
US-20020137939-A1 Melanocortin-4 receptor (MC4-R) agonists; treating obesity or diabetes; 4-((N-cyclohexyl-3,5-dimethyl-piperazine-1-carboximidoyl)-amino)-N-(2-(2,4 -dichlorophenyl)-ethyl)-benzamide for example CHIRON CORPORATION 2002-09-26 — — US disclosed
WO-2002018327-A2 GUANIDINOBENZAMIDES AS MC4-R AGONISTS CHIRON CORPORATION (US) 2002-03-07 — — WO disclosed
US-4161476-A α-Halo-2-oxo-1-azetidinemethane-carboxylic acid compounds CIBA-GEIGY CORPORATION (US) 1979-07-17 — — US disclosed
US-4052408-A OXYACETIC ACID COMPOUNDS AND PROCESS FOR THEIR MANUFACTURE CIBA-GEIGY CORPORATION (US) 1977-10-04 — — US 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-20140296521-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF GLB1, CEL, SI HTT 2943/4885ALDH1A1 1342/4885CYP3A4 146/4885
US-20030199499-A1 Novel guanidinobenzamides GUCY1B2, GPR119, GUCY1B1 HTT 2908/4885ALDH1A1 1371/4885CYP3A4 1923/4885
US-20200039997-A1 SPIRO-OXAZOLONES AVPR1A, AVPR1B, AVPR2 HTT 1513/4885ALDH1A1 1228/4885CYP3A4 1380/4885
US-20020137939-A1 Melanocortin-4 receptor (MC4-R) agonists; treating obesity or diabetes; 4-((N-cyclohexyl-3,5-dimethyl-piperazine-1-carboximidoyl)-amino)-N-(2-(2,4 -dichlorophenyl)-ethyl)-benzamide for example MC4R, MC5R, MC3R HTT 1642/4885ALDH1A1 2079/4885CYP3A4 792/4885

“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.