SCHEMBL842873

SCHEMBL842873

CC1(C)C(=O)Nc2ccccc2C1O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.44
PDK4 Q16654 1/20 0.44
ALDH1A1 P00352 2/20 0.40
HTR5A P47898 2/20 0.39
MAPT P10636 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IDO1 P14902 3/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
EGFR P00533 2/20 0.36
TDO2 P48775 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BRPF1 P55201 1/20 0.35
CREBBP Q92793 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
SCHEMBL27420495 0.84 PDK2 (0.43) PDK2PDK4ALDH1A1MAPTL3MBTL1
SCHEMBL6221516 0.79 PDK2 (0.46) PDK2PDK4ALDH1A1HTR5AMAPT
SCHEMBL27388647 0.76 ALDH1A1 (0.40) PDK2PDK4ALDH1A1HTR5AMAPT
SCHEMBL843154 0.76 TGM2 (0.36) ALDH1A1MAPTIDO1KMT2AMEN1
SCHEMBL843002 0.76 KMT2A (0.39) MAPTIDO1KMT2AMEN1
SCHEMBL843721 0.74 PGR (0.42) ALDH1A1KDM4E
SCHEMBL842905 0.73 CYP11B2 (0.51) PDK2PDK4HTR5AL3MBTL1KMT2A
SCHEMBL9156505 0.71 PGR (0.36) ALDH1A1HTR5AL3MBTL1KMT2AMEN1
SCHEMBL841685 0.70 CYP19A1 (0.43) PDK2PDK4HTR5A
SCHEMBL1098201 0.69 ALDH1A1 (0.40) ALDH1A1MAPTL3MBTL1IDO1KMT2A

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
US-8143278-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-8143278-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-8143278-B2 Organic compounds NOVARTIS AG (CH) 2012-03-27 US disclosed
US-20100093711-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-15 US disclosed
US-20100093711-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-15 US disclosed
US-20100093711-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-15 US disclosed
EP-2121652-A1 4-IMIDAZOLYL-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS ALDOSTERONE/11-BETA-HYDROXYLASE INHIBITORS Novartis AG (CH) 2009-11-25 EP disclosed
WO-2008076860-A1 4-IMIDAZOLYL-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS ALDOSTERONE/11-BETA-HYDROXYLASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 WO disclosed
WO-2008076860-A1 4-IMIDAZOLYL-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS ALDOSTERONE/11-BETA-HYDROXYLASE 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-20100093711-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP11B2 PDK2 1156/4885PDK4 485/4885ALDH1A1 142/4885

“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.