SCHEMBL1483043

SCHEMBL1483043

N#Cc1ccc(Cn2c(-c3ccc(Cl)cc3OCC3CCCC3)nc3cc(F)c(F)cc32)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.37
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
KCNH2 Q12809 2/20 0.35
KDM1A O60341 3/20 0.34
SLC6A4 P31645 1/20 0.34
HTR6 P50406 1/20 0.34
CXCR3 P49682 1/20 0.34
SLC6A9 P48067 1/20 0.34
PTGER1 P34995 4/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
GLP1R P43220 1/20 0.33
MCHR1 Q99705 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL1482217 0.99 NR1H4 (0.38) NR1H4CYP11B1CYP11B2KCNH2KDM1A
SCHEMBL1482427 0.98 NR1H4 (0.36) NR1H4CYP11B1CYP11B2KCNH2KDM1A
SCHEMBL1482864 0.97 CYP11B1 (0.36) NR1H4CYP11B1CYP11B2KCNH2KDM1A
SCHEMBL1482365 0.93 GLP1R (0.37) CYP11B1CYP11B2KCNH2KDM1APTGER1
SCHEMBL1482770 0.92 KCNH2 (0.41) NR1H4CYP11B1CYP11B2KCNH2KDM1A
SCHEMBL1482742 0.91 NPSR1 (0.43) KCNH2MEN1CYP1A2CYP2D6CYP2C9
SCHEMBL1482910 0.90 GLP1R (0.39) KCNH2SLC6A4PTGER1GLP1R
SCHEMBL1482995 0.89 KCNN4 (0.37) CYP11B1CYP11B2KCNH2KDM1ASLC6A9
SCHEMBL1482747 0.89 NR1H4 (0.36) NR1H4CYP11B1CYP11B2KCNH2CXCR3
SCHEMBL1484274 0.89 CCR2 (0.42) NR1H4KCNH2SLC6A4PTGER1KMT2A

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 NR1H4 776/4885CYP11B1 190/4885CYP11B2 211/4885

“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.