SCHEMBL5028697

SCHEMBL5028697

CN(CCCNc1c(Cl)cccc1[N+](=O)[O-])C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PKM P14618 2/20 0.44
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CHRM3 P20309 1/20 0.41
MAOA P21397 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADORA2A P29274 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL31376654 0.88 CHRM2 (0.41) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL25344251 0.86 METAP2 (0.36) MAPTALDH1A1PKMGAACHRM2
SCHEMBL5128404 0.83 METAP2 (0.41) DRD2METAP2NPC1RAB9A
SCHEMBL7973779 0.81 CHRM2 (0.58) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL25346494 0.80 METAP2 (0.36) MAPTALDH1A1CHRM2CHRM1DRD2
SCHEMBL25342692 0.80 MAPT (0.38) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL25343679 0.79 ALDH1A1 (0.60) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL11507064 0.77 MAPT (0.57) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL25344845 0.76 ALDH1A1 (0.46) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL25343983 0.76 KAT2B (0.56) MAPTALDH1A1PKMTDP1METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1983992-A2 2-IMINO-BENZIMIDAZOLES Abbott Laboratories (US) 2008-10-29 EP disclosed
US-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 US disclosed
US-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 US disclosed
US-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 US disclosed
WO-2007084728-A2 2-IMINO-BENZIMIDAZOLES ABBOTT LABORATORIES (US) 2007-07-26 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 (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-20070232673-A1 2-Imino-benzimidazoles CYP2C19, UGT2B7, UGT2B17 MAPT 2918/4885ALDH1A1 39/4885MEN1 614/4885

“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.