SCHEMBL551849

SCHEMBL551849

Cc1cc(COS(C)(=O)=O)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
TSHR P16473 2/20 0.43
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
AR P10275 1/20 0.41
HSD17B10 Q99714 1/20 0.40
HPGD P15428 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALDH1A1 P00352 4/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TXNRD1 Q16881 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PKM P14618 1/20 0.37
GAA P10253 1/20 0.37
CYP19A1 P11511 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL3252445 0.88 ALDH1A1 (0.46) MAPTTSHRHSD17B10HPGDCYP3A4
SCHEMBL5716665 0.88 CYP19A1 (0.39) MAPTTSHRNR3C1PGRAR
SCHEMBL16054702 0.88 CYP3A4 (0.44) MAPTTSHRCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL5716636 0.85 MAPT (0.42) MAPTTSHRNR3C1PGRAR
SCHEMBL5906064 0.84 TSHR (0.47) MAPTTSHRCYP3A4ALDH1A1NPC1
SCHEMBL5906302 0.82 ALDH1A1 (0.45) MAPTALDH1A1SMN1; SMN2L3MBTL1TXNRD1
SCHEMBL28433503 0.82 MAPT (0.50) MAPTTSHRNR3C1PGRAR
SCHEMBL18458211 0.81 ALDH1A1 (0.42) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL402991 0.81 VCAM1 (0.51) MAPTALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL4301275 0.81 VCAM1 (0.49) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104024222-A PHTHALAMIDE DERIVATIVE, PESTICIDE FOR AGRICULTURAL AND HORTICULTURAL APPLICATIONS WHICH COMPRISES SAID DERIVATIVE, AND METHOD OF UTILIZING SAID PESTICIDE NIHON NOHYAKU CO LTD 2014-09-03 CN disclosed
CN-101198589-B N-benzanilides with insecticidal activity BAYER CROPSCIENCE AG 2012-07-18 CN disclosed
US-8110689-B2 Benzanilides with insecticidal activity BAYER CROPSCIENE AG (DE) 2012-02-07 US 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-20100062937-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2010-03-11 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
US-20060223872-A1 Insecticidal phthalamide derivatives BAYER CROPSCIENCE AG (DE) 2006-10-05 US disclosed
CN-1759105-A Phthalamide derivatives having insecticidal activity BAYER CROPSCIENCE AG (DE) 2006-04-12 CN disclosed
US-7011838-B2 Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-03-14 US disclosed
EP-1606271-A1 INSECTICIDAL PHTHALAMIDE DERIVATIVES Bayer CropScience AG (DE) 2005-12-21 EP disclosed
US-20050209323-A1 Malononitrile compounds and their use as pesticides OTAKA KEN 2005-09-22 US disclosed
CN-1639114-A Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL CO (JP) 2005-07-13 CN disclosed
WO-2004080984-A1 INSECTICIDAL PHTHALAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2004-09-23 WO disclosed
US-20040138065-A1 Malononitrile compounds and their use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-15 US disclosed
EP-1385817-A2 MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2004-02-04 EP disclosed
WO-2002090320-A2 MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-11-14 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-20100062937-A1 BENZANILIDES WITH INSECTICIDAL ACTIVITY CBR3, HCN3, HAX1 MAPT 4865/4885TSHR 926/4885NR3C1 4184/4885
US-20050209323-A1 Malononitrile compounds and their use as pesticides C1S, C1R, C5 MAPT 4314/4885TSHR 2542/4885NR3C1 2356/4885
US-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES DDT, SQOR, CYP2S1 MAPT 4020/4885TSHR 1924/4885NR3C1 3575/4885
US-20060223872-A1 Insecticidal phthalamide derivatives CRYAA, PRXL2A, H1-2 MAPT 2074/4885TSHR 2326/4885NR3C1 4456/4885
US-20040138065-A1 Malononitrile compounds and their use as pesticides CBR1, MAL2, CBR3 MAPT 4612/4885TSHR 3805/4885NR3C1 906/4885
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 MAPT 4079/4885TSHR 2047/4885NR3C1 4682/4885

“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.