SCHEMBL1097299

SCHEMBL1097299

CC(C)(C)[Si](C)(C)OCc1cncn1Cc1ccccc1C#N

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
FNTA P49354 5/20 0.38
FNTB P49356 5/20 0.38
PGGT1B P53609 5/20 0.38
BRD4 O60885 1/20 0.36
GALR3 O60755 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL1096475 0.89 CYP19A1 (0.41) CYP19A1ALDH1A1MAPTSMN1; SMN2CYP11B1
SCHEMBL1446463 0.82 CYP19A1 (0.41) CYP19A1ALDH1A1MAPTSMN1; SMN2CYP11B1
SCHEMBL5037113 0.81 CYP19A1 (0.40) CYP19A1ALDH1A1MAPTSMN1; SMN2CYP11B1
SCHEMBL1106692 0.80 BACE1 (0.33) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL13160969 0.79 CYP11B1 (0.50) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL3628808 0.79 CYP11B1 (0.60) CYP19A1CYP11B1CYP11B2FNTAFNTB
SCHEMBL20533050 0.79 BACE1 (0.41) CYP19A1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL3463864 0.78 FNTA (0.47) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL12820668 0.76 CYP11B1 (0.58) CYP19A1ALDH1A1MAPTSMN1; SMN2CYP11B1
SCHEMBL1097392 0.75 HTR1A (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2301931-B1 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2013-10-16 EP disclosed
US-8153674-B2 Organic compounds NOVARTIS AG (CH) 2012-04-10 US disclosed
US-8153674-B2 Organic compounds NOVARTIS AG (CH) 2012-04-10 US disclosed
EP-2301931-A1 Imidazoles as aldosterone synthase inhibitors Novartis AG (CH) 2011-03-30 EP disclosed
US-20090182007-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
US-20090182007-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
CN-101410389-A Organic compounds NOVARTIS AG (CH) 2009-04-15 CN disclosed
EP-2001866-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2008-12-17 EP disclosed
WO-2007117982-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-18 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-20090182007-A1 ORGANIC COMPOUNDS REN, CYP17A1, HSD17B1 CYP19A1 166/4885ALDH1A1 215/4885MAPT 3319/4885

“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.