SCHEMBL1397651

SCHEMBL1397651

CN(CCc1ccc(Cl)c(Cl)c1)c1cc2ccccc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 15/20 0.47
TP53 P04637 3/20 0.47
CYP1A2 P05177 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C19 P33261 1/20 0.47
KCNH2 Q12809 1/20 0.41
CYP2D6 P10635 2/20 0.40
TSHR P16473 2/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
CYP3A4 P08684 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
ATM Q13315 1/20 0.39

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
SCHEMBL3218534 0.71 SIGMAR1 (0.47) SIGMAR1TP53CYP1A2KMT2AMEN1
SCHEMBL1253016 0.71 APP (0.47) CYP1A2KMT2AALDH1A1
SCHEMBL10262038 0.69 SIGMAR1 (0.79) SIGMAR1TP53CYP1A2KMT2AMEN1
SCHEMBL1397650 0.68 SIGMAR1 (0.48) SIGMAR1TP53CYP1A2CYP2C19CYP2D6
SCHEMBL11277467 0.67 SIGMAR1 (0.64) SIGMAR1TP53CYP1A2KMT2AMEN1
SCHEMBL14614777 0.67 SIGMAR1 (0.64) SIGMAR1TP53CYP1A2KMT2AMEN1
SCHEMBL1397436 0.67 SIGMAR1 (0.51) SIGMAR1TP53CYP1A2KMT2AMEN1
SCHEMBL5681292 0.64 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2KMT2AMEN1
SCHEMBL2830423 0.64 SIGMAR1 (1.00) SIGMAR1TP53CYP1A2KMT2AMEN1
Bromide SCHEMBL1780137 0.63 SIGMAR1 (0.97) SIGMAR1TP53CYP1A2KMT2AMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007726-B1 BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-02 EP disclosed
US-7674815-B2 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-09 US disclosed
EP-2007726-A2 BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-12-31 EP disclosed
WO-2007090749-A2 BENZAMIDE AND HETEROARENE DERIVATIVES AS CETP INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
US-20070185113-A1 Heteroaryl and benzyl amide compounds HOFFMANN-LA ROCHE INC. 2007-08-09 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-20070185113-A1 Heteroaryl and benzyl amide compounds CYP2C19, CYP2C9, CYP3A43 SIGMAR1 485/4885TP53 3487/4885CYP1A2 8/4885

“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.