SCHEMBL1483050

SCHEMBL1483050

COC(=O)CCc1ccc(Cn2c(-c3ccc(Cl)cc3OCC3CC3)nc3cc(F)c(F)cc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
P2RX3 P56373 10/20 0.40
NR1H4 Q96RI1 4/20 0.40
SCN7A Q01118 1/20 0.38
SCN5A Q14524 1/20 0.38
CCR9 P51686 2/20 0.37
RPS6KA3 P51812 1/20 0.36
DRD2 P14416 1/20 0.35
TBXA2R P21731 1/20 0.35

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
SCHEMBL1483423 0.97 NR1H4 (0.42) KDM4EP2RX3NR1H4SCN7ASCN5A
SCHEMBL1482713 0.91 NR1H4 (0.46) KDM4EP2RX3NR1H4TBXA2R
SCHEMBL1482665 0.89 KDM4E (0.47) KDM4EP2RX3NR1H4CCR9DRD2
SCHEMBL1482644 0.89 NR1H4 (0.43) P2RX3NR1H4SCN7ASCN5ADRD2
SCHEMBL1482284 0.88 NR1H4 (0.49) KDM4EP2RX3NR1H4TBXA2R
SCHEMBL1482749 0.87 P2RX3 (0.43) P2RX3NR1H4
SCHEMBL1482376 0.85 DRD2 (0.47) P2RX3NR1H4DRD2TBXA2R
SCHEMBL1482913 0.85 KDM4E (0.48) KDM4EP2RX3NR1H4CCR9RPS6KA3
SCHEMBL1483153 0.85 KDM4E (0.45) KDM4EP2RX3CCR9DRD2TBXA2R
SCHEMBL1482358 0.85 FFAR4 (0.41) KDM4EP2RX3CCR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309581-B2 Benzimidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-13 US disclosed
US-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 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-20110077273-A1 NEW BENZIMIDAZOLE DERIVATIVES BRI3BP, CYP3A4, RB1 KDM4E 1791/4885P2RX3 557/4885NR1H4 776/4885

“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.