SCHEMBL8252768

SCHEMBL8252768

Cc1ccc(O)c(Cn2c(NCCN3CCOCC3)nc3cc(CO)ccc32)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 6/20 0.63
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.40
ITK Q08881 1/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DHFR P00374 1/20 0.38
EGFR P00533 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 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
SCHEMBL8250773 0.96 TRPC5 (0.58) TRPC5ALDH1A1MEN1KMT2ANPSR1
SCHEMBL8250142 0.93 TRPC5 (0.54) TRPC5ALDH1A1MEN1KMT2ANPSR1
SCHEMBL8284438 0.93 TRPC5 (0.55) TRPC5ALDH1A1MEN1KMT2ANPSR1
SCHEMBL8250779 0.89 TRPC5 (0.49) TRPC5ALDH1A1MEN1KMT2ANPSR1
SCHEMBL8285116 0.87 TRPC5 (0.48) TRPC5ALDH1A1MEN1KMT2ANPSR1
SCHEMBL8292588 0.87 TRPC5 (0.57) TRPC5ALDH1A1MEN1KMT2ANPSR1
SCHEMBL8294233 0.87 TRPC5 (0.48) TRPC5TDP1
SCHEMBL8250145 0.86 TRPC5 (0.54) TRPC5ALDH1A1MEN1KMT2ANPSR1
SCHEMBL14002725 0.86 TRPC5 (0.47) TRPC5ALDH1A1MEN1KMT2ANPSR1
SCHEMBL8253653 0.86 TRPC5 (0.61) TRPC5ALDH1A1MEN1KMT2ANPSR1

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
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

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 TRPC5 4397/4885ALDH1A1 361/4885MEN1 3733/4885

“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.