SCHEMBL4284545

SCHEMBL4284545

Cc1cc(C)c2nc(NCCCO)n(Cc3nc(C)ccc3O)c2c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ CYP3A4 P08684 2/20 0.36
▸ TLR7 Q9NYK1 1/20 0.35
▸ TSHR P16473 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ PCSK9 Q8NBP7 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ USP2 O75604 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ ATM Q13315 1/20 0.31

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
SCHEMBL4288001 0.86 LMNA (0.40) KDM4EALDH1A1TSHRLMNAHSD17B10
SCHEMBL8285627 0.85 KDM4E (0.33) KDM4EALDH1A1HSD17B10USP2HPGD
SCHEMBL14003034 0.85 KDM4E (0.39) KDM4EALDH1A1HSD17B10USP2HPGD
SCHEMBL8283679 0.85 KDM4E (0.39) KDM4EALDH1A1HSD17B10USP2HPGD
SCHEMBL4863283 0.84 MAPT (0.45) KDM4EALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL4281670 0.84 KDM4E (0.36) KDM4EALDH1A1SMN1; SMN2HSD17B10USP2
SCHEMBL8284750 0.83 KDM4E (0.38) KDM4EALDH1A1LMNASMN1; SMN2PCSK9
SCHEMBL4286685 0.82 TSPO (0.36) KDM4EALDH1A1LMNAHSD17B10
SCHEMBL1495304 0.80 KCNH2 (0.38) CYP3A4TLR7LMNASMN1; SMN2USP2
SCHEMBL13932114 0.80 KDM4E (0.43) KDM4EALDH1A1HSD17B10USP2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1711485-B1 AMINO-BENZIMIDAZOLES DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARM LTD (IE) 2009-05-13 — — EP disclosed
US-20090036466-A1 AMINO-BENZIMIDAZOLES DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION BONFANTI JEAN-FRANCOIS 2009-02-05 — — US disclosed
US-20090036466-A1 AMINO-BENZIMIDAZOLES DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION BONFANTI JEAN-FRANCOIS 2009-02-05 — — US disclosed
US-20090036466-A1 AMINO-BENZIMIDAZOLES DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION BONFANTI JEAN-FRANCOIS 2009-02-05 — — US disclosed
WO-2005058870-A1 AMINO-BENZIMIDAZOLES DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-06-30 — — 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-20090036466-A1 AMINO-BENZIMIDAZOLES DERIVATIVES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION NQO2, NOX3, NOX1 KDM4E 3254/4885ALDH1A1 2090/4885CYP3A4 1206/4885

“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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