SCHEMBL14939611

SCHEMBL14939611

O=C1c2cccc(F)c2CC1c1cccc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.55
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
NOS3 P29474 2/20 0.40
PKM P14618 1/20 0.40
NOS2 P35228 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
HTR2B P41595 3/20 0.37
HRH3 Q9Y5N1 3/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
CA1 P00915 1/20 0.36

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
SCHEMBL14940317 0.86 CYP19A1 (0.57) CYP19A1NOS3NOS2MAPK1KMT2A
SCHEMBL14939008 0.85 CYP19A1 (0.52) CYP19A1KDM4EL3MBTL1NOS3NOS2
SCHEMBL14939087 0.83 CYP19A1 (0.43) CYP19A1L3MBTL1NOS3NOS2
SCHEMBL14940296 0.81 CYP19A1 (0.41) CYP19A1NOS3NOS2MEN1MAPK1
SCHEMBL14938930 0.77 CYP19A1 (0.52) CYP19A1KDM4EL3MBTL1NOS3PKM
SCHEMBL28847784 0.77 MAOB (0.45) CYP19A1KDM4ENOS3NOS2
SCHEMBL28815103 0.72 CYP19A1 (0.48) CYP19A1KDM4EL3MBTL1NOS3PKM
SCHEMBL14939619 0.72 SLC6A2 (0.52) CYP19A1KDM4EL3MBTL1PKMHTR2A
SCHEMBL16556014 0.72 ACHE (0.41) CYP19A1NOS3NOS2MAPK1HTR2A
SCHEMBL13267869 0.71 CYP19A1 (1.00) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140323537-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-10-30 US disclosed
WO-2013068785-A1 INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS ACTELION PHARMACEUTICALS LTD (CH) 2013-05-16 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-20140323537-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 CYP19A1 1163/4885KDM4E 157/4885L3MBTL1 541/4885

“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.