SCHEMBL4267804

SCHEMBL4267804

Cc1cc(-c2csc(-c3ccccc3)n2)cc2c1OCC(=O)N2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
MAPT P10636 9/20 0.54
ALDH1A1 P00352 7/20 0.54
KMT2A Q03164 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 3/20 0.54
RAB9A P51151 3/20 0.54
MAPK1 P28482 2/20 0.54
NPC1 O15118 2/20 0.54
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
HPGD P15428 2/20 0.47
PGR P06401 3/20 0.46
NR3C2 P08235 3/20 0.46
SREBF2 Q12772 1/20 0.45
NR3C1 P04150 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP19A1 P11511 1/20 0.41
KDM4E B2RXH2 2/20 0.41
AR P10275 1/20 0.41

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
SCHEMBL4264981 0.89 NR3C2 (0.59) POLBMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL4259481 0.89 ALDH1A1 (0.55) POLBMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL4264187 0.89 CYP19A1 (0.53) POLBMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL4264625 0.89 ALDH1A1 (0.55) POLBMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL4271257 0.88 MAPT (0.49) POLBMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL4264617 0.88 CYP19A1 (0.53) POLBMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL13932202 0.87 POLB (0.51) POLBMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL4267890 0.87 ALDH1A1 (0.53) POLBMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL4260692 0.85 POLB (0.52) POLBMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL4269384 0.85 POLB (0.52) POLBMAPTALDH1A1KMT2ASMN1; SMN2

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 3 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
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 POLB 2747/4885MAPT 3273/4885ALDH1A1 3483/4885

“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.