SCHEMBL8250141

SCHEMBL8250141

OCc1ccc2nc(NCCN3CCOCC3)[nH]c2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.69
KDM4E B2RXH2 3/20 0.49
HSD17B10 Q99714 2/20 0.49
GAA P10253 1/20 0.49
PIM1 P11309 1/20 0.48
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
FGFR1 P11362 1/20 0.44
FGFR2 P21802 1/20 0.44
FGFR3 P22607 1/20 0.44
SRC P12931 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TERT O14746 1/20 0.43
POLB P06746 3/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL6369345 0.94 TSHR (0.61) TSHRKDM4EHSD17B10GAAPIM1
SCHEMBL8283645 0.91 TSHR (0.57) TSHRKDM4EHSD17B10GAAPIM1
SCHEMBL14325669 0.85 TSHR (0.70) TSHRKDM4EHSD17B10GAAPIM1
SCHEMBL8285111 0.84 TSHR (0.48) TSHRKDM4EHSD17B10GAAAURKA
SCHEMBL8567802 0.82 TSHR (1.00) TSHRKDM4EHSD17B10GAAPIM1
SCHEMBL14247437 0.78 TSHR (0.70) TSHRKDM4EHSD17B10GAAPIM1
SCHEMBL8285808 0.76 ALDH1A1 (0.44) TSHRALDH1A1POLBSMN1; SMN2HDAC6
SCHEMBL17749563 0.75 TSHR (0.86) TSHRKDM4EHSD17B10GAAPIM1
SCHEMBL14317932 0.74 TSHR (0.55) TSHRKDM4EPIM1ALDH1A1POLB
SCHEMBL31154137 0.73 TSHR (0.64) TSHRKDM4EHSD17B10GAAALDH1A1

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 TSHR 3727/4885KDM4E 1504/4885HSD17B10 2184/4885

“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.