SCHEMBL843399

SCHEMBL843399

CC(C)(C)C(O[SiH](c1ccccc1)c1ccccc1)c1cncn1C1c2ccccc2N(C(=O)Cc2ccccc2)CC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2B6 P20813 2/20 0.34
ALDH1A1 P00352 3/20 0.32
HPGD P15428 1/20 0.32
CYP11B2 P19099 1/20 0.31
LMNA P02545 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
ROCK1 Q13464 1/20 0.30
CTSK P43235 1/20 0.30
CYP1A2 P05177 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
SCHEMBL843460 0.78 CYP11B2 (0.41) IDO1CYP3A4CYP2D6CYP2B6ALDH1A1
SCHEMBL843400 0.78 IDO1 (0.33) IDO1CYP3A4CYP2D6CYP2B6ALDH1A1
SCHEMBL843401 0.75 ALDH1A1 (0.33) IDO1CYP3A4CYP2D6CYP2B6ALDH1A1
SCHEMBL842877 0.75
SCHEMBL842330 0.67 CYP11B2 (0.42) IDO1CYP11B2
SCHEMBL2820053 0.66 CYP11B2 (0.37) IDO1CYP11B2
SCHEMBL842521 0.64 CYP11B2 (0.43) IDO1CYP11B2LMNAPTGDR2
SCHEMBL14151662 0.62 IDO1 (0.32) IDO1CYP11B2
SCHEMBL14151783 0.62 TSHR (0.36)
SCHEMBL842704 0.61 CYP11B2 (0.57) CYP3A4CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143278-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-20100093711-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-15 US disclosed
EP-2121652-A1 4-IMIDAZOLYL-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS ALDOSTERONE/11-BETA-HYDROXYLASE INHIBITORS Novartis AG (CH) 2009-11-25 EP disclosed
WO-2008076860-A1 4-IMIDAZOLYL-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS ALDOSTERONE/11-BETA-HYDROXYLASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 WO 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-20100093711-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP11B2 IDO1 1639/4885CYP3A4 69/4885CYP2D6 120/4885

“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.