SCHEMBL4127796

SCHEMBL4127796

ClSc1nc(-c2ccccc2)cs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.57
HTT P42858 1/20 0.57
ALDH1A1 P00352 5/20 0.55
HTR1A P08908 1/20 0.54
HTR2A P28223 1/20 0.54
HTR7 P34969 1/20 0.54
KDM4E B2RXH2 3/20 0.52
KMT2A Q03164 3/20 0.52
NPC1 O15118 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 2/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
CYP3A4 P08684 1/20 0.52
AR P10275 3/20 0.49
TDP1 Q9NUW8 1/20 0.48
GFER P55789 1/20 0.47

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
SCHEMBL10613520 0.84 RAB9A (0.60) RAB9AHTTALDH1A1HTR1AHTR2A
SCHEMBL9334806 0.81 RAB9A (0.57) RAB9AHTTALDH1A1HTR1AHTR2A
SCHEMBL4047725 0.81 HTR1A (0.58) RAB9AHTTALDH1A1HTR1AHTR2A
SCHEMBL11705732 0.78 RAB9A (0.58) RAB9AHTTALDH1A1HTR1AHTR2A
SCHEMBL8047174 0.74 RAB9A (0.47) RAB9AHTTALDH1A1HTR1AHTR2A
SCHEMBL261613 0.74 ALDH1A1 (0.56) RAB9AHTTALDH1A1HTR1AHTR2A
SCHEMBL8737914 0.74 SREBF2 (0.59) RAB9AHTTALDH1A1HTR1AHTR2A
SCHEMBL1540756 0.74 HTR1A (0.67) RAB9AHTTALDH1A1HTR1AHTR2A
SCHEMBL956221 0.74 ALDH1A1 (0.61) RAB9AALDH1A1KDM4EKMT2ANPC1
SCHEMBL12599117 0.73 HTR1A (0.74) RAB9AHTTALDH1A1HTR1AHTR2A

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-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR ASTRAZENECA AB (SE) 2009-07-30 US disclosed
EP-1890993-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR ANTAGONISTS OF GLYR AstraZeneca AB (SE) 2008-02-27 EP disclosed
WO-2006121390-A2 BENZOIC ACID DERIVATIVES THAT ARE MODULATORS OR AGONISTS OF GLYR ASTRAZENECA AB (SE) 2006-11-16 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 (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-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR GLRA1, GLRB, GPBAR1 RAB9A 3343/4885HTT 1567/4885ALDH1A1 1413/4885

“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.