SCHEMBL1495232

SCHEMBL1495232

Cc1cc(C)c2nc(NC3CCN(CCCS(N)(=O)=O)CC3)n(Cc3nc(C)ccc3O)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 9/20 0.35
▸ NR4A2 P43354 1/20 0.35
▸ SSTR5 P35346 3/20 0.33
▸ PDE5A O76074 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA13 Q8N1Q1 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ HRH1 P35367 2/20 0.33
▸ HRH4 Q9H3N8 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MLNR O43193 1/20 0.33
▸ CACNA1F O60840 1/20 0.33
▸ EED O75530 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
SCHEMBL1495235 0.89 KCNH2 (0.39) KCNH2NR4A2SSTR5HRH1HRH4
SCHEMBL1495304 0.89 KCNH2 (0.38) KCNH2NR4A2SSTR5PDE5AHRH1
SCHEMBL8285811 0.88 KCNH2 (0.39) KCNH2NR4A2SSTR5PDE5AHRH1
SCHEMBL1495211 0.87 KCNH2 (0.39) KCNH2NR4A2SSTR5PDE5AHRH1
SCHEMBL1495198 0.87 KCNH2 (0.36) KCNH2NR4A2SSTR5PDE5AHRH1
SCHEMBL8285822 0.87 PDE4B (0.38) KCNH2NR4A2SSTR5LMNAABCB1
SCHEMBL8285108 0.86 KCNH2 (0.38) KCNH2NR4A2SSTR5HRH1HRH4
SCHEMBL1495229 0.83 P2RX3 (0.37) KCNH2NR4A2SSTR5PDE5AHRH1
SCHEMBL12851975 0.83 KCNH2 (0.43) KCNH2NR4A2SSTR5HRH1HRH4
SCHEMBL12851974 0.82 KCNH2 (0.39) KCNH2NR4A2SSTR5HRH1HRH4

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
EP-1723136-B1 PIPERIDINE-AMINO-BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARM LTD (IE) 2011-03-09 — — EP disclosed
US-20080146613-A1 PIPERIDINE-AMINO-BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARMACEUTICALS LTD. (IE) 2008-06-19 — — US disclosed
US-7355051-B2 Piperdine-amino-benzimidazole derivatives as inhibitors of respiratory syncytial virus replication TIBOTEC PHARMACEUTICALS (IE) 2008-04-08 — — US disclosed
US-20070093659-A1 Piperdine-amino-benzimidazole derivatives as inhibitors of respiratory syncytial virus replication JANSSEN SCIENCES IRELAND UC (IE) 2007-04-26 — — 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 (2 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-20070093659-A1 Piperdine-amino-benzimidazole derivatives as inhibitors of respiratory syncytial virus replication NQO2, NOX1, NOX3 KCNH2 347/4885NR4A2 388/4885SSTR5 4287/4885
US-20080146613-A1 PIPERIDINE-AMINO-BENZIMIDAZOLE DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION NQO2, NOX3, NOX1 KCNH2 487/4885NR4A2 311/4885SSTR5 4354/4885

“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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