SCHEMBL3979454

SCHEMBL3979454

CC(C)C1C(=O)N(Cc2ccc(F)cc2Cl)Cc2cncn21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
COMT P21964 1/20 0.39

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
SCHEMBL3981539 0.90 FNTA (0.41) P2RX7CYP11B1CYP11B2ALDH1A1KDM4E
SCHEMBL3977976 0.85 CYP11B2 (0.44) P2RX7CYP11B1CYP11B2MEN1CYP1A2
SCHEMBL3975895 0.85 CYP11B2 (0.53) CYP11B1CYP11B2ALDH1A1CYP3A4
SCHEMBL3976120 0.82 CYP11B2 (0.42) CYP11B1CYP11B2CYP3A4MAPK1
SCHEMBL4094875 0.81 CYP11B2 (0.45) CYP11B1CYP11B2MEN1CYP3A4CYP2D6
SCHEMBL3977621 0.79 CYP11B1 (0.53) CYP11B1CYP11B2CYP3A4
SCHEMBL3981958 0.78 CYP11B2 (0.57) CYP11B1CYP11B2ALDH1A1CYP1A2CYP3A4
SCHEMBL4088218 0.78 CYP11B1 (0.47) CYP11B1CYP11B2CYP3A4
SCHEMBL3977142 0.78 CYP11B2 (0.41) CYP11B1CYP11B2CYP3A4MAPK1
SCHEMBL3975074 0.76 CYP11B2 (0.45) 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 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 P2RX7 3581/4885CYP11B1 2/4885CYP11B2 11/4885

“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.