SCHEMBL1482149

SCHEMBL1482149

N#Cc1ccc(Cn2c(-c3ccc(Cl)cc3OCC3CCCC3)nc3cc(F)c(F)cc32)cc1F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.40
TRPV4 Q9HBA0 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
PDE2A O00408 1/20 0.36
CNR1 P21554 4/20 0.36
CNR2 P34972 1/20 0.36
SOS1 Q07889 2/20 0.35
SLC6A4 P31645 1/20 0.34
HTR6 P50406 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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
SCHEMBL1482770 0.91 KCNH2 (0.41) KCNH2NR1H4SOS1SLC6A4HTR6
SCHEMBL1482691 0.88 NR1H4 (0.44) KCNH2TRPV4NR1H4CNR1CNR2
SCHEMBL1484274 0.88 CCR2 (0.42) KCNH2NR1H4SLC6A4
SCHEMBL1483024 0.87 DHFR (0.43) KCNH2NR1H4SLC6A4HTR6CYP11B1
SCHEMBL1482610 0.87 KMT2A (0.43) KCNH2NR1H4SLC6A4HTR6CYP11B1
SCHEMBL1482474 0.86 CNR1 (0.39) CNR1CNR2SOS1
SCHEMBL1483043 0.84 NR1H4 (0.37) KCNH2NR1H4SLC6A4HTR6CYP11B1
SCHEMBL1482104 0.84 PTGER1 (0.45) KCNH2NR1H4
SCHEMBL1482645 0.84 NR1H4 (0.48) KCNH2NR1H4
SCHEMBL1482217 0.84 NR1H4 (0.38) KCNH2NR1H4SLC6A4HTR6CYP11B1

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 KCNH2 839/4885TRPV4 1195/4885NR1H4 776/4885

“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.