Sugi Predict

Sugi Predict / Compounds / SCHEMBL2136576

SCHEMBL2136576

SCHEMBL2136576

O=[N+]([O-])c1ccc2nc(-c3ccccc3)sc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.69
▸ MMP2 P08253 1/20 0.69
▸ MMP9 P14780 1/20 0.69
▸ MMP8 P22894 1/20 0.69
▸ MMP13 P45452 1/20 0.69
▸ SMN1; SMN2 Q16637 7/20 0.61
▸ KMT2A Q03164 6/20 0.61
▸ ALDH1A1 P00352 5/20 0.61
▸ MAPT P10636 5/20 0.61
▸ MEN1 O00255 5/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ GLA P06280 1/20 0.61
▸ GAA P10253 1/20 0.61
▸ PKM P14618 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ CCNE1 P24864 1/20 0.60
▸ CDK2 P24941 1/20 0.60
▸ CDK5 Q00535 1/20 0.60
▸ CDK5R1 Q15078 1/20 0.60
▸ HTT P42858 2/20 0.60

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
SCHEMBL1996999 0.91 APP (0.73) APPMMP2MMP9MMP8MMP13
SCHEMBL2141665 0.88 APP (0.69) APPMMP2MMP9MMP8MMP13
SCHEMBL4298752 0.86 SMN1; SMN2 (0.60) APPMMP2MMP9MMP8MMP13
SCHEMBL3196637 0.86 APP (0.62) APPMMP2MMP9MMP8MMP13
SCHEMBL10032126 0.86 MAPT (0.70) APPMMP2MMP9MMP8MMP13
SCHEMBL11784834 0.85 RAB9A (0.58) APPMMP2MMP9MMP8MMP13
SCHEMBL2628260 0.85 APP (0.73) APPMMP2MMP9MMP8MMP13
SCHEMBL4224543 0.85 APP (0.86) APPMMP2MMP9MMP8MMP13
SCHEMBL19243901 0.82 SULT1A1 (0.62) APPMMP2MMP9MMP8MMP13
SCHEMBL17199066 0.82 APP (0.58) APPMMP2MMP9MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109180590-A A method of Benzoheterocyclic compounds are quickly prepared using physical grinding method under room temperature solvent-free 福建医科大学 2019-01-11 — — CN disclosed
CN-103992291-B Method for synthesizing 2-substituted benzothiazole derivative NANJING TECH UNIVERSITY (CN) 2016-02-10 — — CN disclosed
CN-103992291-A Method for synthesizing 2-substituted benzothiazole derivative NANJING UNIVERSITY OF TECHNOLOGY 2014-08-20 — — CN disclosed
EP-1571142-B1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM SPA (IT) 2012-09-12 — — EP disclosed
US-8242278-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 — — US disclosed
US-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI (JP) 2012-04-26 — — US disclosed
US-20100120802-A1 Novel Anti-Inflammatory and Analgesic Heterocyclic Amidines that Inhibit Nitrogen Oxide (NO) Production MAKOVEC FRANCESCO 2010-05-13 — — US disclosed
US-7674809-B2 Anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production ROTTAPHARM S.P.A. (IT) 2010-03-09 — — US disclosed
EP-1473286-B1 PROCESS FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2009-11-04 — — EP disclosed
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI 2009-08-27 — — US disclosed
EP-1571142-A1 Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production Rottapharm S.p.A. (IT) 2005-09-07 — — EP disclosed
US-20050096471-A1 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-05 — — US disclosed
EP-1473286-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2004-11-03 — — EP disclosed
CN-1159315-C 4, 5-pyrrolooxindoles - 2004-07-28 — — CN disclosed
EP-1149106-B1 4,5-AZOLO-OXINDOLES HOFFMANN LA ROCHE (CH) 2003-03-19 — — EP disclosed
CN-1330654-A 4,5-pyrrolo-oxindoles HOFFMANN LA ROCHE (DE) 2002-01-09 — — CN disclosed
EP-1149106-A2 4,5-AZOLO-OXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 — — EP disclosed
US-6197804-B1 KINASE INHIBITORS; ANTICANCER AGENTS HOFFMANN-LA ROCHE INC. 2001-03-06 — — US disclosed
US-6153634-A FOR THERAPY AND PROPHYLAXIS OF CANCER TUMORS; INHIBITOR OFCYCLIN-DEPENDENT KINASES (CDKS) HOFFMANN-LA ROCHE INC. (US) 2000-11-28 — — US disclosed
WO-2000035920-A2 4,5-AZOLO-OXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 — — 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 (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-20100120802-A1 Novel Anti-Inflammatory and Analgesic Heterocyclic Amidines that Inhibit Nitrogen Oxide (NO) Production NOS3, NOS1, NOS2 APP 2794/4885MMP2 532/4885MMP9 879/4885
US-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR APP 1198/4885MMP2 1105/4885MMP9 2989/4885
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR APP 1198/4885MMP2 1105/4885MMP9 2989/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR APP 1198/4885MMP2 1105/4885MMP9 2989/4885

“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.