SCHEMBL8252786

SCHEMBL8252786

O=c1[nH]c2cnccc2n1CCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.47
FEN1 P39748 1/20 0.42
HPGD P15428 4/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
KDM5A P29375 2/20 0.36
RECQL P46063 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
SCHEMBL891031 0.84 DAO (0.44) DAOFEN1HPGDALDH1A1MAPT
SCHEMBL8247664 0.84 ADORA3 (0.51) DAOFEN1HPGDALDH1A1MAPT
SCHEMBL8247693 0.81 PLK1 (0.47) HPGDALDH1A1MAPTTSHRMAPK1
SCHEMBL8250029 0.79 POLB (0.48) DAOHPGDALDH1A1MAPTTSHR
SCHEMBL8241911 0.77 KMT2A (0.44) DAOHPGDALDH1A1MAPTTDP1
SCHEMBL18464810 0.77 DAO (0.43) DAOFEN1MEN1CYP1A2KMT2A
SCHEMBL763166 0.77 LMNA (0.64) DAOHPGDALDH1A1MAPTTSHR
SCHEMBL8242667 0.76 POLB (0.45) HPGDALDH1A1MAPTTSHRMAPK1
SCHEMBL4312246 0.75 DAO (0.50) DAOFEN1MAPTLMNAMEN1
SCHEMBL11713972 0.72 KMT2A (0.50) DAOALDH1A1TSHRMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034835-B2 1-[[2-amino-3-(substituted alkyl)-3H-benzimidazolyl[methyl]-3-substituted-1,3-dihydro-benzoimidazol-2-ones and structural analogs TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-10-11 US disclosed
US-8034835-B2 1-[[2-amino-3-(substituted alkyl)-3H-benzimidazolyl[methyl]-3-substituted-1,3-dihydro-benzoimidazol-2-ones and structural analogs TIBOTEC PHARMACEUTICALS LTD. (IE) 2011-10-11 US disclosed
US-20100183552-A1 1-[2-AMINO-3-(SUBSTITUTED ALKYL)-3H-BENZIMIDAZOLYLMETHYL]-3-SUBSTITUTED-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONES AND STRUCTURAL ANALOGS JANSSEN SCIENCES IRELAND UC (IE) 2010-07-22 US disclosed
US-20100183552-A1 1-[2-AMINO-3-(SUBSTITUTED ALKYL)-3H-BENZIMIDAZOLYLMETHYL]-3-SUBSTITUTED-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONES AND STRUCTURAL ANALOGS JANSSEN SCIENCES IRELAND UC (IE) 2010-07-22 US disclosed
WO-2006136561-A1 1- ( 2-AMINO-3- (SUBSTITUTED ALKYL)-3H-BENZIMIDAZOIYLMETHYL) -3-SUBTITUTED-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONES WITH ACTIVITY ON RESPIRATORY SYNCYTIAL VIRUS TIBOTEC PHARMACEUTICALS LTD (IE) 2006-12-28 WO disclosed
US-5281589-A Pharmaceuticals CHEIL FOODS & CHEMICALS, INC. (KR) 1994-01-25 US disclosed
WO-1992022556-A1 NOVEL 3-FUSED PYRIDINIUMMETHYL CEPHALOSPORINS CHEIL FOODS & CHEMICALS, INC. (KR) 1992-12-23 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-20100183552-A1 1-[2-AMINO-3-(SUBSTITUTED ALKYL)-3H-BENZIMIDAZOLYLMETHYL]-3-SUBSTITUTED-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONES AND STRUCTURAL ANALOGS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ALK, HRH4 DAO 289/4885FEN1 956/4885HPGD 2532/4885

“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.