SCHEMBL4263147

SCHEMBL4263147

Nc1ncccc1-c1nc(-c2cc(F)c3c(c2)NC(=O)CO3)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.46
ALDH1A1 P00352 10/20 0.46
HPGD P15428 1/20 0.46
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
MAPK1 P28482 4/20 0.42
RAB9A P51151 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 2/20 0.42
PGR P06401 3/20 0.39
NR3C2 P08235 3/20 0.39
NR3C1 P04150 2/20 0.39
KDM4E B2RXH2 1/20 0.38
HTT P42858 3/20 0.37
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
GAA P10253 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL4262021 0.89 MAPT (0.46) MAPTALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL13932203 0.83 MAPT (0.68) MAPTALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL4260706 0.83 RAB9A (0.55) MAPTALDH1A1POLBSMN1; SMN2MAPK1
SCHEMBL4264246 0.82 RAB9A (0.54) MAPTALDH1A1POLBSMN1; SMN2MAPK1
SCHEMBL4265344 0.80 MAPT (0.46) MAPTALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL13932201 0.79 POLB (0.48) MAPTALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL4267968 0.74 POLB (0.49) MAPTALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL4267359 0.73 MAPT (0.67) MAPTALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL4267807 0.72 MAPT (0.62) MAPTALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL4258310 0.72 CYP19A1 (0.54) MAPTALDH1A1HPGDPOLBSMN1; 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 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 MAPT 3273/4885ALDH1A1 3483/4885HPGD 425/4885

“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.