SCHEMBL4258355

SCHEMBL4258355

Cc1c(-c2csc(-c3cccnc3)n2)ccc2c1NC(=O)CO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.51
NR3C2 P08235 1/20 0.51
CYP19A1 P11511 5/20 0.50
AXL P30530 1/20 0.50
PBRM1 Q86U86 1/20 0.50
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
RAB9A P51151 7/20 0.49
NPC1 O15118 6/20 0.49
MAPT P10636 4/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 2/20 0.49
TP53 P04637 1/20 0.49
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL4260398 0.89 NR3C2 (0.56) NR3C2CYP19A1RAB9ANPC1MAPT
SCHEMBL4264898 0.87 POLB (0.47) CYP17A1NR3C2CYP19A1RAB9ANPC1
SCHEMBL4258345 0.85 CYP17A1 (0.52) CYP17A1CYP19A1AXLPBRM1MKNK1
SCHEMBL13932193 0.84 CYP17A1 (0.53) CYP17A1CYP19A1AXLPBRM1MKNK1
SCHEMBL4263181 0.83 NR3C2 (0.55) NR3C2RAB9ANPC1MAPTLMNA
SCHEMBL4258380 0.83 POLB (0.51) NR3C2CYP19A1RAB9ANPC1MAPT
SCHEMBL4265368 0.83 NR3C2 (0.48) NR3C2RAB9ANPC1MAPTLMNA
SCHEMBL4267726 0.82 NR3C2 (0.46) NR3C2CYP19A1RAB9ANPC1MAPT
SCHEMBL4263153 0.82 NR3C2 (0.41) CYP17A1NR3C2CYP19A1RAB9ANPC1
SCHEMBL4264485 0.82 NR3C2 (0.49) NR3C2RAB9ANPC1MAPTLMNA

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-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 US claimed
JP-2008508314-A 2008-03-21 JP claimed
EP-1778242-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2007-05-02 EP claimed
WO-2006015259-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2006-02-09 WO claimed
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 US disclosed
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 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 (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-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS NR5A1, ESRRA, NR3C1 CYP17A1 51/4885NR3C2 7/4885CYP19A1 54/4885

“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.