SCHEMBL5197909

SCHEMBL5197909

O=[N+]([O-])/C=C1\NCCN1Cc1cccnc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.67
CHRNA1 P02708 1/20 0.60
CHRNA3 P32297 1/20 0.60
CHRNA7 P36544 1/20 0.60
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
ALDH1A1 P00352 5/20 0.41
GAA P10253 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
HSP90AA1 P07900 1/20 0.41
PAX8 Q06710 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 2/20 0.40
HTT P42858 3/20 0.40
MAPT P10636 2/20 0.40
HTR6 P50406 1/20 0.40
OPRM1 P35372 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL5197911 1.00 SMN1; SMN2 (0.67) SMN1; SMN2CHRNA1CHRNA3CHRNA7CHRNB2
Hydrochloric Acid SCHEMBL10737660 0.99 SMN1; SMN2 (0.65) SMN1; SMN2CHRNA1CHRNA3CHRNA7CHRNB2
Hydrochloric Acid SCHEMBL10737671 0.99 SMN1; SMN2 (0.65) SMN1; SMN2CHRNA1CHRNA3CHRNA7CHRNB2
SCHEMBL9070414 0.94 CHRNA1 (0.69) SMN1; SMN2CHRNA1CHRNA3CHRNA7CHRNB2
Hydrochloric Acid SCHEMBL9088331 0.93 CHRNA1 (0.67) SMN1; SMN2CHRNA1CHRNA3CHRNA7CHRNB2
SCHEMBL7995471 0.85 SMN1; SMN2 (0.64) SMN1; SMN2CHRNA1CHRNA3CHRNA7CHRNB2
SCHEMBL7995469 0.85 SMN1; SMN2 (0.64) SMN1; SMN2CHRNA1CHRNA3CHRNA7CHRNB2
SCHEMBL1866150 0.85 SMN1; SMN2 (0.67) SMN1; SMN2CHRNA1CHRNA3CHRNA7CHRNB2
SCHEMBL12373561 0.85 SMN1; SMN2 (0.67) SMN1; SMN2CHRNA1CHRNA3CHRNA7CHRNB2
SCHEMBL1866151 0.85 SMN1; SMN2 (0.67) SMN1; SMN2CHRNA1CHRNA3CHRNA7CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483052-B1 Picolinoxides CIBA GEIGY AG (CH) 1997-03-12 EP claimed
US-4647570-A Pesticidal novel nitromethylene derivatives NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1987-03-03 US claimed
JP-60172976-A None JP disclosed
EP-1348705-B1 Alkylene-tethered bis-nitroiminoimidazolidines, process for preparing the same, and insecticides containing the same PRESIDENT OF GIFU UNIVERSITY (JP) 2007-03-21 EP disclosed
US-6875778-B2 Alkylene-tethered bis-nitroiminoimidazolidines, process for preparing the same, and insecticides containing the same GIFU UNIVERSITY 2005-04-05 US disclosed
US-20030220305-A1 Alkylene-tethered bis-nitroiminoimidazolidines, process for preparing the same, and insecticides containing the same GIFU UNIVERSITY 2003-11-27 US disclosed
EP-1348705-A2 Alkylene-tethered bis-nitroiminoimidazolidines, process for preparing the same, and insecticides containing the same President of Gifu University (JP) 2003-10-01 EP disclosed
US-6022967-A 1-NITRO-2-CARBOXYVINYL- OR 1-NITRO-2-(DIMETHYLAMINO)VINYL-SUBSTITUTED IMIDAZOLIDINES OR TETRAHYDROPYRIMIDINES NIHON BAYER AGROCHEM K.K. (JP) 2000-02-08 US disclosed
EP-0154178-B1 NITROMETHYLENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND INSECTICIDAL, MITICIDAL AND NEMATICIDAL AGENTS NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1987-10-07 EP disclosed
US-4680294-A Pesticidal novel nitromethylene derivatives NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1987-07-14 US disclosed
US-4647570-A Pesticidal novel nitromethylene derivatives NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1987-03-03 US disclosed
EP-0192060-A1 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1986-08-27 EP disclosed
EP-0154178-A1 Nitromethylene derivatives, method for their preparation and insecticidal, miticidal and nematicidal agents NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1985-09-11 EP disclosed
JP-S60172976-A NITROMETHYLENE DERIVATIVE, ITS PREPARATION AND INSECTICIDAL, MITICIDAL AND NEMATOCIDAL AGENT NIPPON TOKUSHU NOYAKU SEIZO KK 1985-09-06 JP 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-20030220305-A1 Alkylene-tethered bis-nitroiminoimidazolidines, process for preparing the same, and insecticides containing the same KCNH1, KCNH3, KCNH2 SMN1; SMN2 574/4885CHRNA1 312/4885CHRNA3 441/4885

“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.