SCHEMBL1482913

SCHEMBL1482913

COC(=O)CCc1ccc(Cn2c(-c3ccc(Cl)cc3O)nc3cc(F)c(F)cc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
TBXA2R P21731 4/20 0.40
DRD2 P14416 3/20 0.40
CCR9 P51686 2/20 0.40
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
NR1H4 Q96RI1 3/20 0.39
EGFR P00533 1/20 0.38
CASR P41180 2/20 0.38
RPS6KA3 P51812 1/20 0.38
KMT2A Q03164 2/20 0.38
P2RX3 P56373 1/20 0.37
SOS1 Q07889 1/20 0.37

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
SCHEMBL1482665 0.91 KDM4E (0.47) KDM4ETBXA2RDRD2CCR9CYP11B1
SCHEMBL1483090 0.90 TBXA2R (0.46) KDM4ETBXA2RDRD2NR1H4KMT2A
SCHEMBL1482209 0.87 LPAR2 (0.42) KDM4ETBXA2RDRD2NR1H4P2RX3
SCHEMBL1483096 0.87 DRD2 (0.55) TBXA2RDRD2P2RX3
SCHEMBL1483050 0.85 KDM4E (0.43) KDM4ETBXA2RDRD2CCR9NR1H4
SCHEMBL1483423 0.84 NR1H4 (0.42) KDM4ECCR9NR1H4P2RX3
SCHEMBL1482695 0.84 MCHR1 (0.39) KDM4ENR1H4P2RX3
SCHEMBL1483153 0.83 KDM4E (0.45) KDM4ETBXA2RDRD2CCR9KMT2A
SCHEMBL1482428 0.83 MAPT (0.52) KDM4ECCR9KMT2AP2RX3
SCHEMBL1482734 0.83 MAPT (0.42) KDM4ECCR9RPS6KA3KMT2AP2RX3

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 1791/4885TBXA2R 92/4885DRD2 1464/4885

“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.