SCHEMBL8247680

SCHEMBL8247680

CCCCOc1ccc(C)nc1Cn1c(N)nc2ccc(CO)cc21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 2/20 0.42
▸ CSF1R P07333 12/20 0.41
▸ TLR7 Q9NYK1 3/20 0.37
▸ IL6 P05231 2/20 0.37
▸ SOS1 Q07889 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HTT P42858 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
SCHEMBL8251311 0.90 TLR8 (0.42) TLR8CSF1RSOS1ALDH1A1POLB
SCHEMBL8252433 0.89 S1PR4 (0.36) TLR7IL6ALDH1A1
SCHEMBL8242381 0.87 TLR7 (0.35) TLR7IL6
SCHEMBL8249741 0.87 F2 (0.36) TLR7IL6ALDH1A1
SCHEMBL8284703 0.86 CSF1R (0.47) CSF1RSOS1ALDH1A1POLBHTT
SCHEMBL8242374 0.85 AGTR2 (0.39) TLR7
SCHEMBL8251906 0.85 AGTR2 (0.39) TLR7
SCHEMBL8283857 0.85 CSF1R (0.57) CSF1RALDH1A1POLBHTT
SCHEMBL8248706 0.83 HTT (0.46) ALDH1A1POLBHTT
SCHEMBL8284695 0.81 KDM4E (0.46) TLR8CSF1RSOS1ALDH1A1POLB

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 3 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-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 TLR8 1679/4885CSF1R 4163/4885TLR7 665/4885

“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.

Send feedback