SCHEMBL4172303

SCHEMBL4172303

NC(=O)Nc1ccc(C=C2c3ccccc3CCc3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
RAB9A P51151 2/20 0.54
KMT2A Q03164 2/20 0.54
NR3C1 P04150 1/20 0.46
PGR P06401 1/20 0.46
NR3C2 P08235 1/20 0.46
AR P10275 1/20 0.46
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
GFER P55789 1/20 0.45
MIF P14174 3/20 0.43
PEPD P12955 1/20 0.41
MAOB P27338 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAOA P21397 1/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL4162477 0.86 KMT2A (0.72) NPC1RAB9AKMT2ANR3C1PGR
SCHEMBL4157827 0.85 AR (0.62) NPC1RAB9AKMT2ANR3C1PGR
SCHEMBL4161555 0.81 BCAT2 (0.49) NPC1RAB9AKMT2ANR3C1PGR
SCHEMBL4164619 0.80 KDM4E (0.58) NPC1RAB9AKMT2AMAPTGAA
SCHEMBL4162085 0.78 CYP3A4 (0.56) NPC1RAB9AKMT2ANR3C1PGR
SCHEMBL4165024 0.77 NR3C1 (0.51) NPC1RAB9AKMT2ANR3C1PGR
SCHEMBL4163879 0.75 HTR6 (0.46) NPC1RAB9ANR3C1PGRNR3C2
SCHEMBL6239187 0.75 MIF (0.64) KMT2ANR3C1PGRNR3C2AR
SCHEMBL4158887 0.75 MAOB (0.49) NPC1RAB9ANR3C1PGRNR3C2
SCHEMBL4161782 0.74 NR3C2 (0.74) NPC1RAB9AKMT2ANR3C1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2006-03-23 US disclosed
EP-1519915-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-04-06 EP disclosed
WO-2004052847-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-24 WO disclosed
WO-2004052847-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-24 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 (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-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS NR5A1, NR3C2, NR3C1 NPC1 245/4885RAB9A 4500/4885KMT2A 2460/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 NPC1 234/4885RAB9A 4574/4885KMT2A 2288/4885

“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.