Sugi Predict

Sugi Predict / Compounds / SCHEMBL4776300

SCHEMBL4776300

SCHEMBL4776300

Cc1ccc(O)c(Cn2c(NC3CCN(CCN4CCCC4)CC3)nc3c(C)cccc32)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 8/20 0.43
▸ NR4A2 P43354 1/20 0.43
▸ SSTR5 P35346 5/20 0.41
▸ NPY1R P25929 3/20 0.40
▸ CYP3A4 P08684 3/20 0.39
▸ HRH1 P35367 2/20 0.39
▸ HRH4 Q9H3N8 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ EED O75530 2/20 0.39
▸ MLNR O43193 1/20 0.39
▸ CACNA1F O60840 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HLA-A P04439 1/20 0.39
▸ ERBB2 P04626 1/20 0.39

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
SCHEMBL8287187 0.93 KCNH2 (0.43) KCNH2NR4A2SSTR5CYP3A4HRH1
Jnj 2408068 SCHEMBL3890162 0.92 KCNH2 (0.42) KCNH2NR4A2SSTR5CYP3A4HRH1
Jnj 2408068 SCHEMBL29365461 0.92 KCNH2 (0.42) KCNH2NR4A2SSTR5CYP3A4HRH1
SCHEMBL8289247 0.92 KCNH2 (0.44) KCNH2NR4A2SSTR5NPY1RCYP3A4
Jnj 2408068 SCHEMBL29623997 0.92 KCNH2 (0.42) KCNH2NR4A2SSTR5CYP3A4HRH1
Jnj 2408068 SCHEMBL29427933 0.92 KCNH2 (0.42) KCNH2NR4A2SSTR5CYP3A4HRH1
Jnj 2408068 SCHEMBL4980538 0.91 KCNH2 (0.42) KCNH2NR4A2SSTR5CYP3A4HRH1
SCHEMBL1495205 0.91 KCNH2 (0.39) KCNH2NR4A2SSTR5NPY1RCYP3A4
Hydrochloric Acid SCHEMBL1495348 0.89 NPY1R (0.40) KCNH2NR4A2SSTR5NPY1RCYP3A4
SCHEMBL1495236 0.89 NPY1R (0.42) KCNH2NR4A2SSTR5NPY1RCYP3A4

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-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.