SCHEMBL1887281

SCHEMBL1887281

Nc1nc2ccc(F)cc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.61
HTR3E A5X5Y0 1/20 0.61
HTR3B O95264 1/20 0.61
HTR3A P46098 1/20 0.61
BACE1 P56817 1/20 0.61
HTR3D Q70Z44 1/20 0.61
HTR3C Q8WXA8 1/20 0.61
IDO1 P14902 1/20 0.57
TYMS P04818 3/20 0.57
ALPL P05186 1/20 0.56
ALPI P09923 1/20 0.56
ALPG P10696 1/20 0.56
ALDH1A1 P00352 2/20 0.53
MASP2 O00187 1/20 0.53
MEN1 O00255 1/20 0.53
NUDT1 P36639 1/20 0.53
KMT2A Q03164 1/20 0.53
AOC3 Q16853 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
FABP6 P51161 2/20 0.50

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
SCHEMBL31651401 1.00 PLAU (0.61) PLAUHTR3EHTR3BHTR3ABACE1
SCHEMBL214295 0.84 ALDH1A1 (0.53) PLAUHTR3EHTR3BHTR3ABACE1
SCHEMBL17096765 0.80 TDO2 (0.61) BACE1IDO1TYMS
SCHEMBL725354 0.79 PLAU (0.66) PLAUHTR3EHTR3BHTR3ABACE1
SCHEMBL24115971 0.79 ABL1 (0.76) PLAUHTR3EHTR3BHTR3ABACE1
Hydrochloric Acid SCHEMBL6621844 0.78 PLAU (0.63) PLAUHTR3EHTR3BHTR3ABACE1
SCHEMBL1747975 0.76 ALPL (0.56) HTR3EHTR3BHTR3ABACE1HTR3D
SCHEMBL2106084 0.76 ALPL (0.56) IDO1ALPLALPIALPGAMY1A
SCHEMBL18628747 0.76 ALPL (0.56) IDO1ALPLALPIALPGAMY1A
SCHEMBL7590755 0.76 ALDH1A1 (0.61) IDO1TYMSALPLALPIALPG

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 15 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
CN-114989096-B Thioazole compound and preparation method and application thereof 赣南师范大学 2023-10-24 CN disclosed
CN-114989096-A Thioazole compound and preparation method and application thereof 赣南师范大学 2022-09-02 CN disclosed
US-10292390-B2 Inhibition and dispersion of bacterial biofilms with 2-aminobenzimidazole derivatives WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-05-21 US disclosed
CN-106414448-A Novel compounds useful as s100-inhibitors 活跃生物技术有限公司 2017-02-15 CN disclosed
EP-1887002-B1 CARBOXAMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2015-08-26 EP disclosed
US-20130136782-A1 Inhibition and Dispersion of Bacterial Biofilms with 2-Aminobenzimidazole Derivatives WISCONSIN ALUMNI RESEARCH FOUNDATION 2013-05-30 US disclosed
US-8304437-B2 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-06 US disclosed
US-20110172276-A1 CARBOXAMIDE COMPOUND AND USE OF THE SAME ARIMORI SADAYUKI 2011-07-14 US disclosed
US-7935716-B2 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-03 US disclosed
US-20090076063-A1 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-19 US disclosed
EP-1887002-A1 CARBOXAMIDE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-02-13 EP disclosed
US-20060089316-A1 Method for reducing a susceptibility to tumor formation induced by 3-deoxyglucosone and precursors thereof BROWN TRUMAN R 2006-04-27 US disclosed
US-5326779-A Method of inhibiting the advanced glycosylation of proteins using 1,2-disubstituted-benzimidazoles THE ROCKEFELLER UNIVERSITY (US) 1994-07-05 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 (5 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-20060089316-A1 Method for reducing a susceptibility to tumor formation induced by 3-deoxyglucosone and precursors thereof ALDOA, FBP1, GYS2 PLAU 523/4885HTR3E 1624/4885HTR3B 1148/4885
US-20130136782-A1 Inhibition and Dispersion of Bacterial Biofilms with 2-Aminobenzimidazole Derivatives FLNB, BRI3BP, CCNI PLAU 1451/4885HTR3E 1093/4885HTR3B 930/4885
US-10292390-B2 Inhibition and dispersion of bacterial biofilms with 2-aminobenzimidazole derivatives FLNB, BRI3BP, CCNI PLAU 1451/4885HTR3E 1093/4885HTR3B 930/4885
US-20090076063-A1 Carboxamide compound and use of the same CBR3, SIRT2, SIRT1 PLAU 4808/4885HTR3E 2577/4885HTR3B 2032/4885
US-20110172276-A1 CARBOXAMIDE COMPOUND AND USE OF THE SAME CBR3, SIRT2, SIRT1 PLAU 4808/4885HTR3E 2577/4885HTR3B 2032/4885

“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.