SCHEMBL1482840

SCHEMBL1482840

CCCOc1cc(Cl)ccc1-c1nc2cc(F)c(F)cc2n1Cc1ccc(C#N)cc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PRKDC P78527 1/20 0.34
PDE2A O00408 2/20 0.33
CNR1 P21554 2/20 0.33
MAPK14 Q16539 1/20 0.33
ALOX5AP P20292 1/20 0.32
CYP11B1 P15538 1/20 0.32
EIF4EBP1 Q13541 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32

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 0.89 MDM2 (0.39) CYP11B2MEN1CYP1A2CYP2D6CYP2C9
SCHEMBL1484224 0.89 ALOX5AP (0.34) CYP11B2MEN1CYP1A2CYP2D6CYP2C9
SCHEMBL1482864 0.87 CYP11B1 (0.36) CYP11B2MEN1CYP1A2CYP2D6CYP2C9
SCHEMBL1482427 0.86 NR1H4 (0.36) CYP11B2MEN1CYP1A2CYP2D6CYP2C9
SCHEMBL1483043 0.86 NR1H4 (0.37) CYP11B2MEN1CYP1A2CYP2D6CYP2C9
SCHEMBL1482217 0.85 NR1H4 (0.38) CYP11B2CYP2D6CYP2C9CYP11B1CXCR3
SCHEMBL1483097 0.84 SLC6A4 (0.36) CYP11B2PRKDCPDE2ACNR1MAPK14
SCHEMBL1482365 0.84 GLP1R (0.37) CYP11B2PDE2ACNR1CYP11B1
SCHEMBL1482746 0.84 KMT2A (0.36) CYP11B2MEN1CYP1A2CYP2D6CYP2C9
SCHEMBL1482910 0.82 GLP1R (0.39)

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 CYP11B2 211/4885MEN1 2360/4885CYP1A2 43/4885

“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.