SCHEMBL843002

SCHEMBL843002

CC1(C)C(=O)Nc2ccc(F)cc2C1O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
PGR P06401 1/20 0.37
MEN1 O00255 6/20 0.37
TGM2 P21980 1/20 0.36
POLB P06746 1/20 0.36
IDO1 P14902 1/20 0.35
TP53 P04637 1/20 0.35
AKR1B1 P15121 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
SCHEMBL843154 0.87 TGM2 (0.36) KMT2ACYP1A2MAPTCYP2C19PGR
SCHEMBL842873 0.76 PDK2 (0.44) KMT2AMAPTMEN1IDO1
SCHEMBL31552737 0.74 KMT2A (0.43) KMT2ACYP1A2MAPTCYP2C19MEN1
SCHEMBL841974 0.71 CYP17A1 (0.39) KMT2ACYP1A2MAPTCYP2C19MEN1
SCHEMBL24112727 0.69 PGR (0.53) KMT2APGRMEN1
SCHEMBL2263637 0.69 PGR (0.53) KMT2APGRMEN1
SCHEMBL4062618 0.69 KMT2A (0.47) KMT2ACYP2C19MEN1POLBIDO1
SCHEMBL843721 0.69 PGR (0.42) PGRAKR1B1
SCHEMBL30132814 0.68 CYP1A2 (0.53) KMT2ACYP1A2MAPTCYP2C19PGR
SCHEMBL25313851 0.68 CYP1A2 (0.53) KMT2ACYP1A2MAPTCYP2C19PGR

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 KMT2A 2784/4885CYP1A2 39/4885MAPT 978/4885

“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.