Sugi Predict

Sugi Predict / Compounds / SCHEMBL1829461

SCHEMBL1829461

SCHEMBL1829461

Cc1cc(C(N)=NO)ccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.61
▸ MAPT P10636 7/20 0.57
▸ RAB9A P51151 4/20 0.55
▸ NPC1 O15118 3/20 0.55
▸ POLB P06746 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ GAA P10253 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ALPL P05186 1/20 0.44
▸ MGAM O43451 1/20 0.43
▸ AMY1A P0DUB6 1/20 0.43
▸ SI P14410 1/20 0.43
▸ MGAM2 Q2M2H8 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
SCHEMBL31378091 1.00 TSHR (0.61) TSHRMAPTRAB9ANPC1POLB
SCHEMBL18838994 1.00 TSHR (0.61) TSHRMAPTRAB9ANPC1POLB
SCHEMBL31261532 0.87 TSHR (0.61) TSHRMAPTRAB9ANPC1POLB
SCHEMBL13495909 0.87 TSHR (0.61) TSHRMAPTRAB9ANPC1POLB
SCHEMBL14738946 0.87 TSHR (0.61) TSHRMAPTRAB9ANPC1POLB
SCHEMBL2767396 0.81 TSHR (0.72) TSHRMAPTRAB9ANPC1POLB
SCHEMBL29559254 0.81 ATM (0.51) TSHRMAPTRAB9ANPC1POLB
SCHEMBL13598179 0.81 ATM (0.51) TSHRMAPTRAB9ANPC1POLB
SCHEMBL2460817 0.81 TSHR (0.61) TSHRMAPTRAB9ANPC1POLB
SCHEMBL28687839 0.81 ATM (0.51) TSHRMAPTRAB9ANPC1POLB

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
US-20180343864-A1 Substituted Oxadiazoles for Combating Phytopathogenic Fungi BASF SE (DE) 2018-12-06 — — US disclosed
EP-3373735-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2018-09-19 — — EP disclosed
WO-2017081309-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2017-05-18 — — WO disclosed
CN-102171190-A Insecticidal benzenedicarboxamide derivative BAYER CROPSCIENCE AG 2011-08-31 — — CN disclosed
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 — — US disclosed
EP-2318374-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE Bayer CropScience AG (DE) 2011-05-11 — — EP disclosed
US-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2010-05-27 — — US disclosed
US-7674807-B2 Heterocycle-substituted n-phenyl-phthalamide derivatives, related compounds and their use as insecticides BAYER CROPSCIENCE AG (DE) 2010-03-09 — — US disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 — — WO disclosed
EP-1727804-B1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2009-11-04 — — EP disclosed
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides BAYER CROPSCIENCE AG (DE) 2007-12-27 — — US disclosed
CN-1930129-A N1- ((pyrazol-1-ylmethyl) -2-methylphenyl) -phthalamide derivative and related compound insecticide BAYER CROPSCIENCE AG (DE) 2007-03-14 — — CN disclosed
EP-1727804-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2006-12-06 — — EP disclosed
WO-2005095351-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2005-10-13 — — WO disclosed
US-6893650-B1 N2-phenylamidine derivatives BAYER CROPSCIENCE GMBH (DE) 2005-05-17 — — US disclosed
CN-1170813-C N2 phenylamidine derivatives �ݶ�ũ�����޹�˾ 2004-10-13 — — CN disclosed
EP-1150944-B1 N2-PHENYLAMIDINE DERIVATIVES BAYER CROPSCIENCE GMBH (DE) 2003-08-20 — — EP disclosed
CN-1342137-A N2 phenylamidine derivatives AFINDY AGRICULTURAL SCIENCES G (DE) 2002-03-27 — — CN disclosed
EP-1150944-A1 N2-PHENYLAMIDINE DERIVATIVES Aventis CropScience GmbH (DE) 2001-11-07 — — EP disclosed
WO-2000046184-A1 N2-PHENYLAMIDINE DERIVATIVES AVENTIS CROPSCIENCE GMBH (FR) 2000-08-10 — — 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-20180343864-A1 Substituted Oxadiazoles for Combating Phytopathogenic Fungi CYP51A1, OSR1, FOXO3 TSHR 3628/4885MAPT 3015/4885RAB9A 4593/4885
US-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES DDT, SQOR, CYP2S1 TSHR 1924/4885MAPT 4020/4885RAB9A 1199/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT TSHR 1289/4885MAPT 3425/4885RAB9A 1055/4885
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 TSHR 2047/4885MAPT 4079/4885RAB9A 405/4885

“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.