SCHEMBL3977976

SCHEMBL3977976

CC(C)C1C(=O)N(Cc2ccccc2Cl)Cc2cncn21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 10/20 0.44
CYP11B1 P15538 10/20 0.44
CYP3A4 P08684 6/20 0.41
FNTA P49354 3/20 0.41
FNTB P49356 3/20 0.41
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR35 Q9HC97 1/20 0.38
PGGT1B P53609 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
KCNH2 Q12809 1/20 0.37
TRPC5 Q9UL62 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL3981958 0.86 CYP11B2 (0.57) CYP11B2CYP11B1CYP3A4FNTAFNTB
SCHEMBL3979454 0.85 P2RX7 (0.43) CYP11B2CYP11B1CYP3A4MEN1KMT2A
SCHEMBL3977621 0.83 CYP11B1 (0.53) CYP11B2CYP11B1CYP3A4
SCHEMBL8219463 0.80 CYP11B2 (0.45) CYP11B2CYP11B1CYP3A4FNTAFNTB
SCHEMBL3975074 0.80 CYP11B2 (0.45) CYP11B2CYP11B1CYP3A4
SCHEMBL3975895 0.80 CYP11B2 (0.53) CYP11B2CYP11B1CYP3A4POLBRAB9A
SCHEMBL3976120 0.79 CYP11B2 (0.42) CYP11B2CYP11B1CYP3A4
SCHEMBL3981539 0.78 FNTA (0.41) CYP11B2CYP11B1CYP3A4FNTAFNTB
SCHEMBL4082693 0.77 CYP11B2 (0.56) CYP11B2CYP11B1CYP3A4
SCHEMBL4092720 0.77 CYP11B1 (0.45) CYP11B2CYP11B1CYP3A4MEN1POLB

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 6 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
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 CYP11B2 11/4885CYP11B1 2/4885CYP3A4 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.