Sugi Predict

Sugi Predict / Compounds / SCHEMBL2820744

SCHEMBL2820744

SCHEMBL2820744

COC(=O)c1cncn1C1c2ccccc2C(c2ccc(OC)cc2)C1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.43
▸ IDO1 P14902 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MAPK1 P28482 1/20 0.38
▸ EDNRA P25101 2/20 0.37
▸ EDNRB P24530 1/20 0.37
▸ POLB P06746 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ TP53 P04637 1/20 0.33

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
SCHEMBL2820750 1.00 CYP11B2 (0.43) CYP11B2IDO1RAB9AMAPK1EDNRA
SCHEMBL2820747 1.00 CYP11B2 (0.43) CYP11B2IDO1RAB9AMAPK1EDNRA
SCHEMBL2818749 0.83 CYP11B2 (0.41) CYP11B2IDO1RAB9AMAPK1EDNRA
SCHEMBL2818745 0.83 CYP11B2 (0.41) CYP11B2IDO1RAB9AMAPK1EDNRA
SCHEMBL2818746 0.83 CYP11B2 (0.41) CYP11B2IDO1RAB9AMAPK1EDNRA
SCHEMBL9777356 0.81 CYP11B2 (0.48) CYP11B2IDO1RAB9AMAPK1POLB
SCHEMBL9494229 0.80 CYP11B2 (0.47) CYP11B2IDO1RAB9AMAPK1ALDH1A1
SCHEMBL9777272 0.78 CYP11B2 (0.48) CYP11B2IDO1RAB9AMAPK1TSHR
SCHEMBL9493949 0.78 CYP11B2 (0.45) CYP11B2IDO1RAB9AMAPK1ALDH1A1
SCHEMBL2820368 0.77 CYP11B2 (0.54) CYP11B2IDO1MAPK1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 — — US disclosed
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 — — US disclosed
EP-2213668-A2 Imidazoles as aldosterone synthase inhibitors Novartis AG (CH) 2010-08-04 — — EP disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 — — US disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 — — US disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 — — US disclosed
EP-2094680-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2009-09-02 — — EP disclosed
WO-2008076336-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 — — 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-20100048562-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP17A1 CYP11B2 6/4885IDO1 1361/4885RAB9A 3541/4885

“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.