SCHEMBL13633012

SCHEMBL13633012

CC(C)(C)OC(=O)Nc1ccc(N=O)cc1I

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.40
METAP1 P53582 1/20 0.39
ATR Q13535 1/20 0.39
HPGD P15428 1/20 0.37
MAPT P10636 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MIF P14174 1/20 0.37
KCNQ4 P56696 1/20 0.36
KCNQ5 Q9NR82 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
BRD9 Q9H8M2 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
SCHEMBL21549466 0.82 HPGD (0.49) CYP17A1HPGDMAPTRXFP1MEN1
SCHEMBL25736547 0.81 ALDH1A1 (0.44) CYP17A1HPGDRXFP1MAPK1SMN1; SMN2
SCHEMBL25736549 0.80 CYP17A1 (0.45) CYP17A1METAP1MAPTRXFP1MEN1
SCHEMBL12225275 0.79 HSP90AA1 (0.45) CYP17A1ATRMAPTMEN1KMT2A
SCHEMBL22092641 0.79 KCNQ4 (0.47) CYP17A1MAPTRXFP1KCNQ4KCNQ5
SCHEMBL16801729 0.79 NPC1 (0.47) CYP17A1RXFP1RAB9ANPC1RECQL
SCHEMBL13283864 0.79 MAPT (0.40) CYP17A1MAPTRXFP1MEN1MAPK1
SCHEMBL4851444 0.78 MAPT (0.45) CYP17A1HPGDMAPTRXFP1MEN1
SCHEMBL4857497 0.77 KDM4E (0.46) CYP17A1ATRHPGDMAPTMAPK1
SCHEMBL4855173 0.77 KCNQ4 (0.43) CYP17A1RXFP1KCNQ4KCNQ5BRD9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237396-B1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2019-07-03 EP disclosed
US-9902725-B2 Heterocyclic derivatives as RORgamma modulators GENFIT (FR) 2018-02-27 US disclosed
US-20170349582-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS GENFIT (FR) 2017-12-07 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 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 (2 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK CYP17A1 3568/4885METAP1 4278/4885ATR 205/4885
US-20170349582-A1 HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS RORC, RORB, RORA CYP17A1 93/4885METAP1 3797/4885ATR 4167/4885

“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.