SCHEMBL12226857

SCHEMBL12226857

Cc1ccc(O)c(Cn2cnc3cc(CO)ccc32)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.47
▸ KDM4E B2RXH2 6/20 0.47
▸ KCNH2 Q12809 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ CYP11B1 P15538 3/20 0.39
▸ CYP11B2 P19099 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ BRD4 O60885 2/20 0.38
▸ HPGD P15428 4/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ GHSR Q92847 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ QPCT Q16769 1/20 0.36
▸ QPCTL Q9NXS2 1/20 0.36
▸ PLAA Q9Y263 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
SCHEMBL12226859 0.90 ALDH1A1 (0.47) ALDH1A1KDM4EKCNH2GFERLMNA
SCHEMBL12226856 0.81 HDAC1 (0.41) ALDH1A1KDM4EKCNH2CYP11B1CYP11B2
SCHEMBL8284625 0.78 CA12 (0.46) ALDH1A1KDM4ELMNASMN1; SMN2HPGD
SCHEMBL8284697 0.77 KDM4E (0.46) ALDH1A1KDM4EGFERHTTHPGD
SCHEMBL12226863 0.76 ALDH1A1 (0.39) ALDH1A1KDM4EKCNH2GFERLMNA
SCHEMBL8286242 0.75 KDM4E (0.43) ALDH1A1KDM4EGFERLMNAHTT
SCHEMBL12226864 0.75 ALDH1A1 (0.38) ALDH1A1KDM4EKCNH2GFERLMNA
SCHEMBL3437990 0.74 NPC1 (0.56) ALDH1A1KDM4EGFERLMNAHTT
SCHEMBL8242386 0.74 KDM4E (0.48) ALDH1A1KDM4EKCNH2GFERHPGD
SCHEMBL12226858 0.74 ALDH1A1 (0.38) ALDH1A1KDM4EKCNH2GFERLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044073-B2 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication TIBOTEC PHARMACEUTICALS (IE) 2011-10-25 — — US disclosed
US-8044073-B2 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication TIBOTEC PHARMACEUTICALS (IE) 2011-10-25 — — US disclosed
US-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN SCIENCES IRELAND UC (IE) 2007-05-03 — — US disclosed
US-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN SCIENCES IRELAND UC (IE) 2007-05-03 — — 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 (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-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-2, H1-4 ALDH1A1 1319/4885KDM4E 704/4885KCNH2 616/4885

“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.

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