SCHEMBL1482832

SCHEMBL1482832

COc1ccccc1-c1nc2cc(F)c(F)cc2n1Cc1ccc(C#N)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
BUB1 O43683 1/20 0.40
MDM2 Q00987 4/20 0.38
AKT1 P31749 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
NR3C2 P08235 1/20 0.37
PRKDC P78527 1/20 0.37
BRD4 O60885 1/20 0.36
SQOR Q9Y6N5 1/20 0.36
KMT2A Q03164 1/20 0.36
AR P10275 1/20 0.36
PTGER4 P35408 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 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
SCHEMBL1482680 0.88 MDM2 (0.39) KDM4ELMNAHTTNPSR1BUB1
SCHEMBL1482793 0.85 KMT2A (0.49) KDM4ELMNAHTTCYP11B1CYP11B2
SCHEMBL1482995 0.85 KCNN4 (0.37) KDM4ELMNAHTTNPSR1CYP11B1
SCHEMBL1482982 0.81 KDM4E (0.51) KDM4ELMNAHTTNPSR1BUB1
SCHEMBL1482840 0.79 CYP11B2 (0.34) KDM4ELMNANPSR1MDM2CYP11B1
SCHEMBL1482746 0.77 KMT2A (0.36) KDM4ELMNAHTTNPSR1CYP11B1
SCHEMBL1484224 0.77 ALOX5AP (0.34) NPSR1BUB1MDM2CYP11B1CYP11B2
SCHEMBL1482864 0.77 CYP11B1 (0.36) NPSR1CYP11B1CYP11B2KMT2APDE10A
SCHEMBL1484222 0.77 DRD2 (0.38) MDM2CYP11B1CYP11B2PGRPRKDC
SCHEMBL1483027 0.76 PDE10A (0.39) PDE10A

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 1791/4885LMNA 2064/4885HTT 4057/4885

“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.