SCHEMBL5196302

SCHEMBL5196302

O=C(c1ccc(Cl)nc1)N1CCN(CC#CCN2CCN(C(=O)c3ccc(Cl)nc3)C2=N[N+](=O)[O-])C1=N[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ CHRNB2 P17787 2/20 0.35
▸ CHRNA4 P43681 2/20 0.35
▸ NAPRT Q6XQN6 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPK1 P28482 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33

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
SCHEMBL5194448 0.90 RAB9A (0.42) RAB9ASMN1; SMN2CASP6HPGDALDH1A1
SCHEMBL5194738 0.88 RAB9A (0.41) RAB9ASMN1; SMN2CASP6HPGDALDH1A1
SCHEMBL5196343 0.88 RAB9A (0.41) RAB9ASMN1; SMN2CASP6HPGDALDH1A1
SCHEMBL5194142 0.87 RAB9A (0.40) RAB9ASMN1; SMN2CASP6HPGDALDH1A1
SCHEMBL5194069 0.87 RAB9A (0.40) RAB9ASMN1; SMN2CASP6HPGDALDH1A1
SCHEMBL5196916 0.87 RAB9A (0.40) RAB9ASMN1; SMN2CASP6HPGDALDH1A1
SCHEMBL5194673 0.87 RAB9A (0.40) RAB9ASMN1; SMN2CASP6HPGDALDH1A1
SCHEMBL5196746 0.87 RAB9A (0.40) RAB9ASMN1; SMN2CASP6HPGDALDH1A1
SCHEMBL5196259 0.87 SMN1; SMN2 (0.44) RAB9ASMN1; SMN2CASP6HPGDALDH1A1
SCHEMBL5193987 0.87 RAB9A (0.40) RAB9ASMN1; SMN2CASP6HPGDALDH1A1

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 4 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

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 RAB9A 1232/4885SMN1; SMN2 574/4885CASP6 2068/4885

“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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