SCHEMBL4092720

SCHEMBL4092720

Cc1cccc(CN2Cc3cncn3C(C(C)C)C2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.45
CYP11B2 P19099 7/20 0.45
CYP3A4 P08684 6/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TAS2R8 Q9NYW2 1/20 0.38
BRD4 O60885 2/20 0.36
ACHE P22303 2/20 0.35

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
SCHEMBL3980433 0.89 CYP11B1 (0.41) CYP11B1CYP11B2CYP3A4ALDH1A1RECQL
SCHEMBL4094875 0.88 CYP11B2 (0.45) CYP11B1CYP11B2CYP3A4MEN1KMT2A
SCHEMBL3981958 0.88 CYP11B2 (0.57) CYP11B1CYP11B2CYP3A4ALDH1A1CYP1A2
SCHEMBL4088218 0.83 CYP11B1 (0.47) CYP11B1CYP11B2CYP3A4
SCHEMBL3977142 0.83 CYP11B2 (0.41) CYP11B1CYP11B2CYP3A4
SCHEMBL3977621 0.82 CYP11B1 (0.53) CYP11B1CYP11B2CYP3A4
SCHEMBL3975895 0.81 CYP11B2 (0.53) CYP11B1CYP11B2CYP3A4POLBALDH1A1
SCHEMBL3975074 0.81 CYP11B2 (0.45) CYP11B1CYP11B2CYP3A4
SCHEMBL8219463 0.81 CYP11B2 (0.45) CYP11B1CYP11B2CYP3A4
SCHEMBL3976120 0.80 CYP11B2 (0.42) CYP11B1CYP11B2CYP3A4

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
US-20090264420-A1 ORGANIC COMPOUNDS KSANDER GARY MICHAEL 2009-10-22 US disclosed
US-20090264420-A1 ORGANIC COMPOUNDS KSANDER GARY MICHAEL 2009-10-22 US disclosed
US-20090264420-A1 ORGANIC COMPOUNDS KSANDER GARY MICHAEL 2009-10-22 US disclosed
EP-2057163-A1 FUSED IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY ALDOSTERONE SYNTHASE AND/OR 11-BETA-HYDROXYLASE AND/OR AROMATASE Novartis AG (CH) 2009-05-13 EP disclosed
WO-2008027284-A1 FUSED IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY ALDOSTERONE SYNTHASE AND/OR 11-BETA-HYDROXYLASE AND/OR AROMATASE NOVARTIS AG (CH) 2008-03-06 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-20090264420-A1 ORGANIC COMPOUNDS CYP17A1, CYP11B1, CYP46A1 CYP11B1 2/4885CYP11B2 11/4885CYP3A4 147/4885

“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.