Sugi Predict

Sugi Predict / Compounds / SCHEMBL3909197

SCHEMBL3909197

SCHEMBL3909197

CN1CN(Cc2ccccc2)CN(Cc2cnc(Cl)s2)C1=N[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ LMNA P02545 4/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ RECQL P46063 1/20 0.43
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 4/20 0.35
▸ NPBWR1 P48145 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34

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
SCHEMBL3909196 1.00 ALDH1A1 (0.51) ALDH1A1LMNAKMT2ARECQLGAA
SCHEMBL45484 0.84 LMNA (0.38) ALDH1A1LMNAKMT2ARECQLGAA
SCHEMBL515504 0.84 LMNA (0.38) ALDH1A1LMNAKMT2ARECQLGAA
SCHEMBL45483 0.84 LMNA (0.38) ALDH1A1LMNAKMT2ARECQLGAA
SCHEMBL7237829 0.81 DRD2 (0.39) ALDH1A1LMNAKMT2AMAPTKDM4E
SCHEMBL13168806 0.80 ALDH1A1 (0.43) ALDH1A1LMNAKMT2ARECQLGAA
SCHEMBL18623488 0.80 ALDH1A1 (0.43) ALDH1A1LMNAKMT2ARECQLGAA
SCHEMBL16093059 0.78 ALDH1A1 (0.41) ALDH1A1LMNAKMT2ARECQLGAA
Thiamethoxam SCHEMBL3956094 0.77 LMNA (0.38) ALDH1A1LMNAKMT2ARECQLGAA
Thiamethoxam SCHEMBL22916 0.77 LMNA (0.38) ALDH1A1LMNAKMT2ARECQLGAA

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
JP-2009149676-A METHOD FOR PRODUCING 1,3-DISUBSTITUTED 2-NITROGUANIDINES BAYER CROPSCIENCE AG 2009-07-09 — — JP disclosed
US-7026307-B2 Method for producing 1,3-disubstituted 2-nitroguanidines BAYER CROPSCIENCE AG (DE) 2006-04-11 — — US disclosed
EP-1392652-B1 METHOD FOR PRODUCING 1,3-DISUBSTITUTED 2-NITROGUANIDINES BAYER CROPSCIENCE AG (DE) 2006-03-22 — — EP disclosed
EP-0869120-B1 Process for the preparation of nitroguanidine derivatives starting from 2-nitroimino-hexahydro-1,3,5-triazines in the presence of ammonia, primary or secondary amine MITSUI CHEMICALS INC (JP) 2005-07-20 — — EP disclosed
US-20040167177-A1 Method for producing 1,3-disubstituted 2-nitroguanidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2004-08-26 — — US disclosed
EP-1242390-B1 METHOD FOR PRODUCTION OF 1,3-DISUBSTITUTED 2-NITROGUANIDINES BAYER CROPSCIENCE AG (DE) 2004-08-11 — — EP disclosed
EP-1392652-A1 METHOD FOR PRODUCING 1,3-DISUBSTITUTED 2-NITROGUANIDINES Bayer CropScience AG (DE) 2004-03-03 — — EP disclosed
EP-1066251-B1 METHOD FOR THE PRODUCTION OF 1,3-DISUBSTITUTED 2-NITROGUANIDINES BAYER CROPSCIENCE AG (DE) 2003-07-09 — — EP disclosed
US-6528651-B1 Ring cleavage deamination of a triazacylclohexane derivative with hydrogen chloride BAYER AKTIENGESELLSCHAFT (DE) 2003-03-04 — — US disclosed
WO-2002090331-A1 METHOD FOR PRODUCING 1,3-DISUBSTITUTED 2-NITROGUANIDINES BAYER CROPSCIENCE AG (DE) 2002-11-14 — — WO disclosed
EP-1242390-A1 METHOD FOR PRODUCTION OF 1,3-DISUBSTITUTED 2-NITROGUANIDINES Bayer Aktiengesellschaft (DE) 2002-09-25 — — EP disclosed
EP-0971907-B1 METHOD FOR PRODUCING 1,3-DI-SUBSTITUTED 2-NITROGUANIDINES BAYER AG (DE) 2002-02-27 — — EP disclosed
WO-2001046160-A1 METHOD FOR PRODUCTION OF 1,3-DISUBSTITUTED 2-NITROGUANIDINES BAYER AKTIENGESELLSCHAFT (DE) 2001-06-28 — — WO disclosed
US-6194575-B1 REACTING 2-NITROIMINO-3,5-DIMETHYL-1,3, 5-TRIAZA-CYCLOHEXANE DERIVATIVE WITH UREA IN PRESENCE OF DILUENT TO FORM 1,3-DI-SUBSTITUTED 2-NITROGUANIDINE BAYER AKTIENGESELLSCHAFT (DE) 2001-02-27 — — US disclosed
EP-1066251-A1 METHOD FOR THE PRODUCTION OF 1,3-DISUBSTITUTED 2-NITROGUANIDINES Bayer Aktiengesellschaft (DE) 2001-01-10 — — EP disclosed
US-6118007-A REACTING THE CORRESPONDING TRIAZINE COMPOUND WITH AMMONIAOR AN AMINE MITSUI CHEMICALS, INC. (JP) 2000-09-12 — — US disclosed
EP-0971907-A1 METHOD FOR PRODUCING 1,3-DI-SUBSTITUTED 2-NITROGUANIDINES Bayer Aktiengesellschaft (DE) 2000-01-19 — — EP disclosed
WO-1999042437-A1 METHOD FOR THE PRODUCTION OF 1,3-DISUBSTITUTED 2-NITROGUANIDINES BAYER AKTIENGESELLSCHAFT (DE) 1999-08-26 — — WO disclosed
EP-0869120-A1 Process for the preparation of nitroguanidine derivatives starting from 2-nitroimino-hexahydro-1,3,5-triazines in the presence of ammonia, primary or secondary amine Mitsui Chemicals, Inc. (JP) 1998-10-07 — — EP disclosed
WO-1998042690-A1 METHOD FOR PRODUCING 1,3-DI-SUBSTITUTED 2-NITROGUANIDINES BAYER AKTIENGESELLSCHAFT (DE) 1998-10-01 — — 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 (1 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-20040167177-A1 Method for producing 1,3-disubstituted 2-nitroguanidines PTGS2, PTGS1, HPGD ALDH1A1 198/4885LMNA 3709/4885KMT2A 2061/4885

“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.