SCHEMBL1482695

SCHEMBL1482695

COC(=O)CCCCCn1c(-c2ccc(Cl)cc2O)nc2cc(F)c(F)cc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.39
KDM4E B2RXH2 1/20 0.39
DYRK1A Q13627 2/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
KAT2B Q92831 2/20 0.38
FAAH O00519 1/20 0.37
MAPT P10636 1/20 0.37
BACE1 P56817 1/20 0.37
AGPAT2 O15120 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
P2RX3 P56373 3/20 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
SCHEMBL1482332 0.91 DYRK1A (0.39) MCHR1KDM4EDYRK1AKAT2BFAAH
SCHEMBL1482913 0.84 KDM4E (0.48) KDM4ENR1H4P2RX3
SCHEMBL1482909 0.84 KDM4E (0.42) MCHR1KDM4EJAK2JAK1TYK2
SCHEMBL1483183 0.83 NR1H4 (0.42) MCHR1BACE1NR1H4CNR1
SCHEMBL1483090 0.82 TBXA2R (0.46) KDM4EMAPTNR1H4
SCHEMBL1482209 0.79 LPAR2 (0.42) MCHR1KDM4ENR1H4P2RX3
SCHEMBL1483096 0.78 DRD2 (0.55) MAPTP2RX3
SCHEMBL1482627 0.77 CYP11B2 (0.40) MCHR1KDM4EJAK2JAK1TYK2
SCHEMBL1482411 0.75 TP53 (0.46) KDM4E
SCHEMBL1482665 0.75 KDM4E (0.47) KDM4ENR1H4CNR1P2RX3

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 MCHR1 2753/4885KDM4E 1791/4885DYRK1A 3602/4885

“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.