SCHEMBL5198288

SCHEMBL5198288

O=C(c1ccc(Cl)nc1)N1CCNC1=N[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.40
▸ CHRNB2 P17787 2/20 0.39
▸ CHRNA4 P43681 2/20 0.39
▸ NAPRT Q6XQN6 1/20 0.38
▸ CHRNA1 P02708 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL15686614 0.87 SMN1; SMN2 (0.42) SMN1; SMN2RAB9AALDH1A1HPGDCHRNB2
SCHEMBL7993058 0.76 KMT2A (0.46) SMN1; SMN2RAB9AALDH1A1HPGDCHRNB2
SCHEMBL7993053 0.76 KMT2A (0.46) SMN1; SMN2RAB9AALDH1A1HPGDCHRNB2
SCHEMBL5194448 0.76 RAB9A (0.42) SMN1; SMN2RAB9AALDH1A1HPGDCHRNB2
SCHEMBL8324218 0.76 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1CHRNB2CHRNA4CHRNA1
Imidacloprid SCHEMBL15474899 0.74 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1CHRNB2CHRNA4CHRNA1
Imidacloprid SCHEMBL15284816 0.74 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1CHRNB2CHRNA4CHRNA1
SCHEMBL5194738 0.74 RAB9A (0.41) SMN1; SMN2RAB9AALDH1A1HPGDCHRNB2
SCHEMBL5196343 0.74 RAB9A (0.41) SMN1; SMN2RAB9AALDH1A1HPGDCHRNB2
Imidacloprid SCHEMBL22278 0.74 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1CHRNB2CHRNA4CHRNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6566528-B1 Reacting 2-chloro-3-chloromethyl-5-methyl pyridine and 2-nitroimino-1,3-diazacyclopentane in the presence of a base and an organic solvent; insecticides that act at the nicotinic acetylcholine receptor COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-05-20 — — US disclosed
EP-1306374-A1 1-(2-chloro-5-methyl-3-pyridylmethyl)-2-nitroiminoimadozolidine and a process for the preparation thereof Council of Scientific and Industrial Research (IN) 2003-05-02 — — EP disclosed
US-20030083350-A1 1-(2-CHLORO-5-METHYL-3-PYRIDYLMETHYL)-2-NITROIMINIOMIDAZOLIDINE AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-05-01 — — US 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-20030220305-A1 Alkylene-tethered bis-nitroiminoimidazolidines, process for preparing the same, and insecticides containing the same KCNH1, KCNH3, KCNH2 SMN1; SMN2 574/4885RAB9A 1232/4885ALDH1A1 1406/4885
US-20030083350-A1 1-(2-CHLORO-5-METHYL-3-PYRIDYLMETHYL)-2-NITROIMINIOMIDAZOLIDINE AND PROCESS FOR THE PREPARATION THEREOF CYP1B1, CYP2C9, CYP1A1 SMN1; SMN2 1941/4885RAB9A 1545/4885ALDH1A1 229/4885

“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.

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