SCHEMBL6039239

SCHEMBL6039239

[CH2]c1cc(CC(C)(C)C)ccc1-n1ccnc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.37
LMNA P02545 3/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2D6 P10635 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
PMP22 Q01453 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP19A1 P11511 2/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
IDO1 P14902 4/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
GAA P10253 1/20 0.35
AAK1 Q2M2I8 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
SCHEMBL2873467 0.81 LOXL2 (0.43) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL6038986 0.80 LMNA (0.35) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL12976770 0.80 CYP3A4 (0.35) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL2877314 0.80 CYP1A2 (0.44) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL6038993 0.79 LMNA (0.34) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL9969422 0.75 LMNA (0.58) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL6039463 0.75 IDO1 (0.36) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL4404602 0.74 IDO1 (0.54) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL6038975 0.71 ALDH1A1 (0.40) LMNAALDH1A1MAPK1KMT2ATDP1
SCHEMBL6039466 0.71

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-20060014737-A1 Methods of treatment of amyloidosis using bi-aryl aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-01-19 US claimed
US-20060014737-A1 Methods of treatment of amyloidosis using bi-aryl aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-01-19 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-20060014737-A1 Methods of treatment of amyloidosis using bi-aryl aspartyl protease inhibitors DNPEP, ASPH, APP CYP3A4 2960/4885LMNA 533/4885CYP1A2 2206/4885

“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.