SCHEMBL1483153

SCHEMBL1483153

COC(=O)CCc1ccc(Cn2c(-c3ccc(Cl)cc3OCc3ccccc3Cl)nc3cc(F)c(F)cc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 2/20 0.41
S1PR1 P21453 2/20 0.38
S1PR5 Q9H228 2/20 0.38
DRD2 P14416 2/20 0.38
TBXA2R P21731 2/20 0.38
PTGER1 P34995 6/20 0.37
CCR9 P51686 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
P2RX3 P56373 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL1482975 0.91 FFAR4 (0.49) KDM4EFFAR1FFAR4TBXA2RPTGER1
SCHEMBL1482665 0.87 KDM4E (0.47) KDM4EDRD2TBXA2RCCR9HDAC1
SCHEMBL1482727 0.86 MAPT (0.40) KDM4EFFAR1FFAR4CCR9P2RX3
SCHEMBL1482951 0.86 TP53 (0.45) KDM4EPTGER1CYP1A2CYP2C9HPGD
SCHEMBL1483050 0.85 KDM4E (0.43) KDM4EDRD2TBXA2RCCR9P2RX3
SCHEMBL1483423 0.84 NR1H4 (0.42) KDM4EPTGER1CCR9P2RX3CYP3A4
SCHEMBL1484288 0.84 KMT2A (0.42) KDM4EPTGER1CYP1A2CYP2C9CYP2C19
SCHEMBL1482913 0.83 KDM4E (0.48) KDM4EDRD2TBXA2RCCR9P2RX3
SCHEMBL1482885 0.81 KDM4E (0.42) KDM4EDRD2TBXA2RPTGER1HTT
SCHEMBL1482636 0.80 DRD2 (0.52) DRD2TBXA2RPTGER1KMT2A

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 1791/4885FFAR1 1795/4885FFAR4 1845/4885

“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.