SCHEMBL7035376

SCHEMBL7035376

C=CCN1CNc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
APOBEC3G Q9HC16 2/20 0.42
ALDH1A1 P00352 3/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.38
ESPL1 Q14674 3/20 0.37
CAPN9 O14815 1/20 0.37
CASP3 P42574 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
HTT P42858 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
ADRA2A P08913 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
SCHEMBL7030960 0.80 ALDH1A1 (0.44) MAPTALDH1A1SMN1; SMN2GAASIRT2
SCHEMBL7029422 0.78 CASP1 (0.48) MAPTALDH1A1SMN1; SMN2GAACASP3
SCHEMBL7034434 0.76 ALDH1A1 (0.41) MAPTALDH1A1SMN1; SMN2GAAESPL1
SCHEMBL26934237 0.74 ALDH1A1 (0.46) MAPTALDH1A1SMN1; SMN2GAAESPL1
SCHEMBL2160271 0.74 ALDH1A1 (0.46) MAPTALDH1A1SMN1; SMN2GAAESPL1
SCHEMBL7032529 0.73 KCNJ1 (0.51) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7544166 0.72 GAA (0.42) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL7036155 0.71 ALDH1A1 (0.46) MAPTALDH1A1SMN1; SMN2GAAESPL1
SCHEMBL7032882 0.71 ALDH1A1 (0.51) MAPTALDH1A1MEN1KMT2AHTT
SCHEMBL5532575 0.70 ALDH1A1 (0.42) MAPTALDH1A1SMN1; SMN2GAAMEN1

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
US-20030181730-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2003-09-25 US disclosed
US-20030022927-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2003-01-30 US disclosed
US-6495583-B1 DRUG FOR TREATING AN ALPHA-2 ADRENERGIC RECEPTOR ASSOCIATED DISORDER, NASAL CONGENSTION AND ALLEVIATING PAIN SYNAPTIC PHARMACEUTICAL CORPORATION 2002-12-17 US disclosed
US-6436982-B1 USEFUL AS ANALGESIC, SEDATIVE OR ANAESTHETIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2002-08-20 US disclosed
US-20020072536-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2002-06-13 US disclosed
US-6403626-B1 USEFUL AS ANALGESIC, SEDATIVE OR ANAESTHETIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2002-06-11 US disclosed
US-20020065307-A1 Novel benzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION 2002-05-30 US disclosed
US-6316637-B1 SELECTIVE FOR CLONED HUMAN ALPHA 2 RECEPTORS AND ARE USEFUL AS ANALGESIC, SEDATIVE OR ANAESTHETIC AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-11-13 US disclosed
EP-0775134-A4 NOVEL BENZIMIDAZOLE DERIVATIVES SYNAPTIC PHARMA CORP (US) 1997-08-13 EP disclosed
EP-0775134-A1 Imidazolin-2-ylaminobenzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-05-28 EP disclosed
WO-1996004270-A1 NOVEL BENZIMIDAZOLE DERIVATIVES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-02-15 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 (4 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-20020065307-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 MAPT 4094/4885APOBEC3G 3611/4885ALDH1A1 938/4885
US-20020072536-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 MAPT 4095/4885APOBEC3G 3469/4885ALDH1A1 923/4885
US-20030022927-A1 Novel benzimidazole derivatives OPRL1, OPRD1, OPRM1 MAPT 4207/4885APOBEC3G 3550/4885ALDH1A1 1022/4885
US-20030181730-A1 Novel benzimidazole derivatives OPRD1, OPRL1, OPRM1 MAPT 4094/4885APOBEC3G 3611/4885ALDH1A1 938/4885

“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.