SCHEMBL1482689

SCHEMBL1482689

COC(=O)CCc1ccc(Cn2c(-c3cccnc3OCC3CCCC3)nc3cc(F)c(F)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.41
NR1H4 Q96RI1 2/20 0.37
MDM2 Q00987 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
P2RX3 P56373 2/20 0.36
ENPP2 Q13822 1/20 0.36
KMT2A Q03164 1/20 0.35
ROCK2 O75116 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
TP53 P04637 1/20 0.35
CCR9 P51686 1/20 0.35
LMNA P02545 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
SCHEMBL1482358 0.97 FFAR4 (0.41) FFAR4MDM2MAPTKDM4ETHRB
SCHEMBL1482371 0.91 FFAR4 (0.47) FFAR4NR1H4MDM2MAPTTHRB
SCHEMBL1484289 0.88 FFAR4 (0.49) FFAR4NR1H4MDM2MAPTKDM4E
SCHEMBL1483423 0.85 NR1H4 (0.42) NR1H4KDM4EP2RX3CCR9
SCHEMBL1482613 0.85 KDM4E (0.45) FFAR4MDM2KDM4EENPP2KMT2A
SCHEMBL1482823 0.84 THRB (0.45) MAPTTHRBP2RX3ENPP2TP53
SCHEMBL1482428 0.84 MAPT (0.52) MAPTKDM4ETHRBP2RX3KMT2A
SCHEMBL1482734 0.84 MAPT (0.42) MAPTKDM4ETHRBP2RX3KMT2A
SCHEMBL1482727 0.83 MAPT (0.40) FFAR4MAPTKDM4ETHRBP2RX3
SCHEMBL1483050 0.82 KDM4E (0.43) NR1H4KDM4EP2RX3CCR9

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 FFAR4 1845/4885NR1H4 776/4885MDM2 1954/4885

“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.