SCHEMBL12226856

SCHEMBL12226856

Cc1ccc(O)c(Cn2cnc3cc(C=O)ccc32)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ PLAA Q9Y263 2/20 0.37
▸ KCNH2 Q12809 2/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ ALPG P10696 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PTGS2 P35354 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GHSR Q92847 1/20 0.34
▸ ALPL P05186 1/20 0.33

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
SCHEMBL12226858 0.91 ALDH1A1 (0.38) KDM4EALDH1A1PLAAKCNH2BRD4
SCHEMBL12226857 0.81 ALDH1A1 (0.47) KDM4EALDH1A1PLAAKCNH2BRD4
SCHEMBL8284699 0.78 ALDH1A1 (0.40) HDAC1HDAC8KDM4EALDH1A1USP2
SCHEMBL8284625 0.78 CA12 (0.46) KDM4EALDH1A1PLAAALPGHPGD
SCHEMBL8249749 0.75 KDM4E (0.39) HDAC1KDM4EALDH1A1USP2HPGD
SCHEMBL12226861 0.75 BRD4 (0.35) HDAC1HDAC8KDM4EALDH1A1PLAA
SCHEMBL12226859 0.74 ALDH1A1 (0.47) KDM4EALDH1A1PLAAKCNH2BRD4
SCHEMBL8284602 0.74 KDM4E (0.38) KDM4EALDH1A1BRD4USP2HPGD
SCHEMBL8252407 0.73 KDM4E (0.37) KDM4EALDH1A1USP2HPGDHSD17B10
SCHEMBL12226860 0.71 CA12 (0.46) ALDH1A1PLAABRD4ALPGRAB9A

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 HDAC1 317/4885HDAC8 1199/4885KDM4E 704/4885

“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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