SCHEMBL3768095

SCHEMBL3768095

Nc1sc(-c2ccccc2)cc1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.81
GAA P10253 5/20 0.63
ALDH1A1 P00352 3/20 0.63
HPGD P15428 3/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
IKBKB O14920 1/20 0.61
TUBB4A P04350 2/20 0.60
TUBB P07437 2/20 0.60
TUBA3C P0DPH7 2/20 0.60
TUBA1B P68363 2/20 0.60
TUBA4A P68366 2/20 0.60
TUBB4B P68371 2/20 0.60
TUBB3 Q13509 2/20 0.60
TUBB2A Q13885 2/20 0.60
TUBB8 Q3ZCM7 2/20 0.60
TUBA3E Q6PEY2 2/20 0.60
TUBA1A Q71U36 2/20 0.60
TUBA1C Q9BQE3 2/20 0.60
TUBB6 Q9BUF5 2/20 0.60

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
SCHEMBL4057174 0.90 ADORA1 (1.00) ADORA1GAAALDH1A1HPGDMEN1
SCHEMBL1062225 0.78 GAA (1.00) ADORA1GAAALDH1A1HPGDMEN1
SCHEMBL1428022 0.77 IKBKB (0.71) ADORA1GAAALDH1A1HPGDMEN1
SCHEMBL3510525 0.77 IKBKB (1.00) ADORA1GAAALDH1A1HPGDMEN1
SCHEMBL21847326 0.76 MAPT (0.77) ADORA1GAAALDH1A1MEN1KMT2A
SCHEMBL15960089 0.75 GAA (0.75) ADORA1GAAALDH1A1HPGDMEN1
SCHEMBL4061364 0.75 ADORA1 (0.64) ADORA1GAAALDH1A1HPGDMEN1
SCHEMBL7057166 0.75 GAA (0.75) ADORA1GAAALDH1A1HPGDMEN1
SCHEMBL5898647 0.74 IKBKB (0.74) ADORA1GAAALDH1A1HPGDMEN1
SCHEMBL8457805 0.72 MAPT (0.71) ADORA1GAAALDH1A1MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317709-A1 SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR COMPOUNDS UNIVERSITEIT LEIDEN 2010-12-16 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-20100317709-A1 SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR COMPOUNDS S1PR3, S1PR1, S1PR5 ADORA1 206/4885GAA 4819/4885ALDH1A1 4570/4885

“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.