SCHEMBL1096713

SCHEMBL1096713

CC1(C)OC(=O)c2ccccc2C1n1cncc1C(=O)NCc1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.61
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 3/20 0.41
IDO1 P14902 6/20 0.40
CNR2 P34972 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL1096800 0.93 CYP11B2 (0.65) CYP11B2ALDH1A1KDM4EIDO1
SCHEMBL1097775 0.84 CYP11B2 (0.66) CYP11B2ALDH1A1KDM4EHTTIDO1
SCHEMBL1096649 0.83 CYP11B2 (0.60) CYP11B2ALDH1A1NPC1RAB9AMAPT
SCHEMBL1099240 0.80 CYP11B2 (0.66) CYP11B2ALDH1A1SMN1; SMN2RAB9AIDO1
SCHEMBL1097382 0.79 CYP11B2 (0.73) CYP11B2ALDH1A1IDO1
SCHEMBL1099042 0.79 CYP11B2 (0.73) CYP11B2IDO1
SCHEMBL1098831 0.78 CYP11B2 (0.79) CYP11B2ALDH1A1KDM4EIDO1
SCHEMBL1098830 0.78 CYP11B2 (0.79) CYP11B2ALDH1A1KDM4EIDO1
SCHEMBL1096266 0.76 CYP11B2 (0.69) CYP11B2IDO1
SCHEMBL1096267 0.76 CYP11B2 (0.69) CYP11B2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8153674-B2 Organic compounds NOVARTIS AG (CH) 2012-04-10 US 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
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 CYP11B2 28/4885ALDH1A1 215/4885SMN1; SMN2 4735/4885

“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.