SCHEMBL8285787

SCHEMBL8285787

Cc1cc(C)c2nc(Nc3ccc(CCN)cc3)n(Cc3nc(C)ccc3O)c2c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ GFER P55789 1/20 0.37
▸ HPGD P15428 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ P2RX3 P56373 9/20 0.33
▸ IDH1 O75874 4/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ TBXA2R P21731 1/20 0.32

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
SCHEMBL4280686 0.92 P2RX3 (0.34) KDM4EALDH1A1GFERP2RX3IDH1
SCHEMBL13932134 0.86 ABCB1 (0.36) KDM4EALDH1A1GFERP2RX3IDH1
SCHEMBL8285786 0.85 KDM4E (0.37) KDM4EALDH1A1GFERHPGDRAB9A
SCHEMBL4280018 0.84 P2RX3 (0.38) P2RX3IDH1
SCHEMBL8283679 0.81 KDM4E (0.39) KDM4EALDH1A1GFERHPGDRAB9A
SCHEMBL14003034 0.81 KDM4E (0.39) KDM4EALDH1A1GFERHPGDRAB9A
SCHEMBL8284613 0.76 KDM4E (0.41) KDM4EALDH1A1GFERHPGDRAB9A
SCHEMBL13932114 0.76 KDM4E (0.43) KDM4EALDH1A1GFERHPGDRAB9A
SCHEMBL4284545 0.75 KDM4E (0.37) KDM4EALDH1A1HPGD
SCHEMBL8284750 0.75 KDM4E (0.38) KDM4EALDH1A1GFERHPGDRAB9A

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-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 2090/4885GFER 855/4885

“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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