SCHEMBL5151002

SCHEMBL5151002

O=C1NC(=O)c2c1ccc(-c1ccccc1)c2[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPRT1 P00492 1/20 0.42
HCRTR1 O43613 1/20 0.41
PKM P14618 1/20 0.41
GSK3B P49841 2/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
TSHR P16473 1/20 0.39
PARP1 P09874 1/20 0.39
TDP2 O95551 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CASP3 P42574 2/20 0.38
ADK P55263 1/20 0.37

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
SCHEMBL9453357 0.79 SMN1; SMN2 (0.51) POLBTDP1CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL29236231 0.78 ALDH1A1 (0.59) POLBTDP1CYP3A4ALDH1A1HPRT1
SCHEMBL9503458 0.78 CYP3A4 (0.51) POLBTDP1CYP3A4SMN1; SMN2GSK3B
SCHEMBL8092353 0.77 ALDH1A1 (0.55) POLBTDP1CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL28138230 0.77 CYP3A4 (0.46) POLBTDP1CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL9833098 0.75 ALDH1A1 (0.62) POLBTDP1CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL135332 0.73 GSK3B (0.56) POLBALDH1A1GSK3BPARP1TDP2
SCHEMBL27307007 0.73 ALDH1A1 (0.58) POLBTDP1CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL1767571 0.73 ALDH1A1 (0.63) POLBTDP1CYP3A4ALDH1A1HPRT1
SCHEMBL6785035 0.73 GSK3B (0.45) TDP1CYP3A4ALDH1A1SMN1; SMN2GSK3B

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108117505-A A kind of preparation method for synthesizing diphenyl ether imidodicarbonic diamide 杜庶铭 2018-06-05 CN claimed
US-20070043011-A1 Substituted benzanilide compound and noxious organism controlling agent MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-02-22 US claimed
EP-1671941-A1 SUBSTITUTED BENZANILIDE COMPOUND AND PEST CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2006-06-21 EP claimed
US-20050250822-A1 Substituted benzanilide compound and noxious organism controlling agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-11-10 US claimed
EP-1538138-A1 SUBSTITUTED BENZANILIDE COMPOUND AND PEST CONTROL AGENT NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 2005-06-08 EP claimed
CN-110483454-A A kind of preparation method of two ether dianhydride of aromatic series UNIV HUNAN NORMAL 2019-11-22 CN disclosed
CN-108117505-A A kind of preparation method for synthesizing diphenyl ether imidodicarbonic diamide 杜庶铭 2018-06-05 CN disclosed
US-20070043011-A1 Substituted benzanilide compound and noxious organism controlling agent MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-02-22 US disclosed
EP-1671941-A1 SUBSTITUTED BENZANILIDE COMPOUND AND PEST CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2006-06-21 EP disclosed
US-20050250822-A1 Substituted benzanilide compound and noxious organism controlling agent NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-11-10 US disclosed
EP-1538138-A1 SUBSTITUTED BENZANILIDE COMPOUND AND PEST CONTROL AGENT NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 2005-06-08 EP 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 (2 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-20070043011-A1 Substituted benzanilide compound and noxious organism controlling agent L3MBTL1, L3MBTL3, L3MBTL4 POLB 4797/4885TDP1 3260/4885CYP3A4 1420/4885
US-20050250822-A1 Substituted benzanilide compound and noxious organism controlling agent GCN1, L3MBTL3, L3MBTL4 POLB 4191/4885TDP1 3916/4885CYP3A4 1864/4885

“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.