SCHEMBL1040797

SCHEMBL1040797

CCOC(=O)C=C(C)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ SIRT2 Q8IXJ6 12/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ GALK1 P51570 1/20 0.34

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
SCHEMBL1040796 1.00 RAB9A (0.39) RAB9ANPC1SIRT2ALDH1A1SMN1; SMN2
SCHEMBL8070031 0.83 ALDH1A1 (0.49) SIRT2ALDH1A1LMNAMAPTGABRA2
SCHEMBL9060018 0.82 SIRT2 (0.41) SIRT2ALDH1A1L3MBTL1LMNAMAPT
SCHEMBL9789313 0.79 SIRT2 (0.42) SIRT2ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL28361973 0.79 NPC1 (0.51) RAB9ANPC1SIRT2ALDH1A1CASP3
SCHEMBL5266089 0.77 SIRT2 (0.41) SIRT2ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL1040045 0.77 CYP11B1 (0.41) SIRT2ALDH1A1KDM4EMAPTKMT2A
SCHEMBL1414901 0.76 SIRT2 (0.40) SIRT2SMN1; SMN2L3MBTL1MAPT
SCHEMBL9263509 0.74 MAPT (0.46) RAB9ANPC1SIRT2MAPT
SCHEMBL9263513 0.74 MAPT (0.46) RAB9ANPC1SIRT2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278969-B2 Organic compounds NOVARTIS AG (CH) 2016-03-08 — — US disclosed
US-20140357621-A1 Organic Compounds NOVARTIS AG (CH) 2014-12-04 — — US disclosed
EP-2256118-B1 Condensed imidazolo derivatives for the inhibition of aromatase and the treatment of aldosterone related diseases NOVARTIS AG (CH) 2014-10-29 — — EP disclosed
US-8835646-B2 Organic compounds NOVARTIS AG (CH) 2014-09-16 — — US disclosed
US-20130287789-A1 Organic Compounds NOVARTIS AG (CH) 2013-10-31 — — US disclosed
EP-1919916-B1 CONDENSED IMIDAZOLO DERIVATIVES FOR THE INHIBITION OF ALDOSTERONE SYNTHASE AND AROMATASE NOVARTIS AG (CH) 2013-04-03 — — EP disclosed
US-8314097-B2 Organic compounds NOVARTIS AG (CH) 2012-11-20 — — US disclosed
US-20120277215-A1 Organic Compounds RECORDATI AG (CH) 2012-11-01 — — US disclosed
EP-2270011-A1 Condensed imidazolo derivatives for the inhibition of aromatase Novartis AG (CH) 2011-01-05 — — EP disclosed
EP-2256118-A1 Condensed imidazolo derivatives for the inhibition of aromatase Novartis AG (CH) 2010-12-01 — — EP disclosed
US-20070049616-A1 Organic compounds RECORDATI AG (CH) 2007-03-01 — — US 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 (4 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-20070049616-A1 Organic compounds CYP19A1, CYP17A1, HSD17B11 RAB9A 3940/4885NPC1 2328/4885SIRT2 2715/4885
US-20130287789-A1 Organic Compounds CYP19A1, CYP17A1, HSD17B11 RAB9A 3940/4885NPC1 2328/4885SIRT2 2715/4885
US-20120277215-A1 Organic Compounds CYP19A1, CYP17A1, HSD17B11 RAB9A 3940/4885NPC1 2328/4885SIRT2 2715/4885
US-20140357621-A1 Organic Compounds CYP19A1, CYP17A1, HSD17B11 RAB9A 3940/4885NPC1 2328/4885SIRT2 2715/4885

“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.

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