SCHEMBL6039463

SCHEMBL6039463

[CH2]c1cc(CC(C)(C)C)cc(Cl)c1-n1ccnc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.36
CYP19A1 P11511 2/20 0.34
NOTUM Q6P988 1/20 0.33
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
CGAS Q8N884 1/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL6039239 0.75 CYP3A4 (0.37) IDO1CYP19A1CYP11B1CYP11B2LOXL2
SCHEMBL6841402 0.68 IDO1 (0.49) IDO1CYP19A1NOTUMCYP11B1CYP11B2
SCHEMBL9969422 0.67 LMNA (0.58) CYP19A1NOTUMLMNAMAPTCYP1A2
SCHEMBL4404602 0.66 IDO1 (0.54) IDO1CYP19A1CYP11B1CYP11B2LMNA
SCHEMBL11955039 0.63 LOXL2 (0.43) CYP19A1CYP11B1CYP11B2LOXL2LMNA
SCHEMBL10026851 0.62 ESR1 (0.39) IDO1CYP3A4
SCHEMBL2873467 0.62 LOXL2 (0.43) IDO1CYP19A1CYP11B1CYP11B2LOXL2
SCHEMBL16923117 0.62 CYP3A4 (0.54) IDO1CYP19A1NOTUMCYP11B1CYP11B2
SCHEMBL12976770 0.61 CYP3A4 (0.35) IDO1CYP19A1CYP11B1CYP11B2LOXL2
SCHEMBL2877314 0.61 CYP1A2 (0.44) CYP19A1CYP11B1CYP11B2LMNAMAPT

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 IDO1 1940/4885CYP19A1 3203/4885NOTUM 655/4885

“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.