SCHEMBL2360680

SCHEMBL2360680

Nc1nc2cc(I)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
KMT2A Q03164 2/20 0.53
NUDT1 P36639 2/20 0.53
MASP2 O00187 1/20 0.53
MEN1 O00255 1/20 0.53
AOC3 Q16853 1/20 0.53
FABP6 P51161 2/20 0.50
TYMS P04818 4/20 0.49
PLAU P00749 1/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
BACE1 P56817 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
NOS1 P29475 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 2/20 0.40
APP P05067 2/20 0.40
ABL1 P00519 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
SCHEMBL14972970 0.84 PLAU (0.61) ALDH1A1KMT2ANUDT1MASP2MEN1
SCHEMBL118057 0.79 MEN1 (0.57) ALDH1A1KMT2ANUDT1MASP2MEN1
SCHEMBL29449363 0.79 MEN1 (0.57) ALDH1A1KMT2ANUDT1MASP2MEN1
Hydrochloric Acid SCHEMBL6621838 0.78 MEN1 (0.55) ALDH1A1KMT2ANUDT1MASP2MEN1
SCHEMBL216615 0.76 HTR3E (0.72) ALDH1A1KMT2ANUDT1MASP2MEN1
SCHEMBL18745954 0.76 NOS1 (0.41) KMT2AMEN1TYMSPLAUNOS1
SCHEMBL13533675 0.76 NOS1 (0.41) KMT2AMEN1TYMSNOS1MAPT
SCHEMBL5787022 0.76 NOS1 (0.41) ALDH1A1TYMSHTR3EHTR3BHTR3A
SCHEMBL214295 0.76 ALDH1A1 (0.53) ALDH1A1KMT2ANUDT1MASP2MEN1
SCHEMBL10003261 0.76 TYMS (0.49) ALDH1A1KMT2AMEN1TYMSNOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10292390-B2 Inhibition and dispersion of bacterial biofilms with 2-aminobenzimidazole derivatives WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-05-21 US claimed
US-20130136782-A1 Inhibition and Dispersion of Bacterial Biofilms with 2-Aminobenzimidazole Derivatives WISCONSIN ALUMNI RESEARCH FOUNDATION 2013-05-30 US claimed
US-10292390-B2 Inhibition and dispersion of bacterial biofilms with 2-aminobenzimidazole derivatives WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-05-21 US disclosed
US-10292390-B2 Inhibition and dispersion of bacterial biofilms with 2-aminobenzimidazole derivatives WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-05-21 US disclosed
WO-2017098421-A1 BENZOTHIADIAZINE COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-06-15 WO disclosed
US-20130136782-A1 Inhibition and Dispersion of Bacterial Biofilms with 2-Aminobenzimidazole Derivatives WISCONSIN ALUMNI RESEARCH FOUNDATION 2013-05-30 US disclosed
US-20130136782-A1 Inhibition and Dispersion of Bacterial Biofilms with 2-Aminobenzimidazole Derivatives WISCONSIN ALUMNI RESEARCH FOUNDATION 2013-05-30 US disclosed
US-20130136782-A1 Inhibition and Dispersion of Bacterial Biofilms with 2-Aminobenzimidazole Derivatives WISCONSIN ALUMNI RESEARCH FOUNDATION 2013-05-30 US disclosed
WO-2011099832-A2 NOVEL BENZIMIDAZOLE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CRYSTALGENOMICS, INC. (KR) 2011-08-18 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 (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-20130136782-A1 Inhibition and Dispersion of Bacterial Biofilms with 2-Aminobenzimidazole Derivatives FLNB, BRI3BP, CCNI ALDH1A1 1841/4885KMT2A 1202/4885NUDT1 3828/4885
US-10292390-B2 Inhibition and dispersion of bacterial biofilms with 2-aminobenzimidazole derivatives FLNB, BRI3BP, CCNI ALDH1A1 1841/4885KMT2A 1202/4885NUDT1 3828/4885

“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.