SCHEMBL4267359

SCHEMBL4267359

O=C1COc2ccc(-c3csc(-c4ccccc4F)n3)cc2N1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.67
ALDH1A1 P00352 9/20 0.67
HPGD P15428 2/20 0.67
POLB P06746 1/20 0.66
SMN1; SMN2 Q16637 4/20 0.64
KMT2A Q03164 4/20 0.64
MAPK1 P28482 3/20 0.64
MEN1 O00255 3/20 0.64
RAB9A P51151 2/20 0.64
NPC1 O15118 1/20 0.64
LMNA P02545 2/20 0.59
HTT P42858 2/20 0.59
NPSR1 Q6W5P4 1/20 0.56
RXFP1 Q9HBX9 1/20 0.55
GAA P10253 1/20 0.53
THRB P10828 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL4258357 0.88 MAPT (0.65) MAPTALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL4267996 0.88 POLB (0.77) MAPTALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL4267313 0.88 MAPT (0.62) MAPTALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL4262059 0.87 POLB (0.75) MAPTALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL4272682 0.85 MAPT (0.74) MAPTALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL4272560 0.85 MAPT (0.74) MAPTALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL4259588 0.84 POLB (0.69) MAPTALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL4264671 0.84 MAPT (0.69) MAPTALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL4264659 0.84 ALDH1A1 (0.65) MAPTALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL4267807 0.83 MAPT (0.62) 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.