SCHEMBL3978013

SCHEMBL3978013

COC(=O)Cn1cncc1C=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.41
CYP11B2 P19099 7/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 1/20 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
SCHEMBL19350019 0.84 CYP11B1 (0.45) CYP11B1CYP11B2GAAALDH1A1KMT2A
SCHEMBL19964740 0.83 CYP11B1 (0.45) CYP11B1CYP11B2SMN1; SMN2ALDH1A1RAB9A
SCHEMBL3631560 0.80 CYP11B1 (0.45) CYP11B1CYP11B2ALDH1A1KMT2AKDM4E
SCHEMBL3275833 0.78 CYP11B1 (0.43) CYP11B1CYP11B2SMN1; SMN2
SCHEMBL7984428 0.77 CYP11B1 (0.61) CYP11B1CYP11B2
SCHEMBL25311885 0.75 CYP11B1 (0.48) CYP11B1CYP11B2SMN1; SMN2GAAALDH1A1
SCHEMBL4489945 0.75 CYP11B1 (0.48) CYP11B1CYP11B2SMN1; SMN2GAAALDH1A1
SCHEMBL25272380 0.73 CYP11B1 (0.43) CYP11B1CYP11B2ALDH1A1KMT2ARAB9A
SCHEMBL2422312 0.73
SCHEMBL3882851 0.73 CYP11B2 (0.56) CYP11B1CYP11B2GAAALDH1A1RAB9A

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 CYP11B1 2/4885CYP11B2 11/4885SMN1; SMN2 4550/4885

“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.