SCHEMBL12728404

SCHEMBL12728404

CN/C(=C\S)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.38
TSHR P16473 4/20 0.37
GAA P10253 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA9 Q16790 2/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
ALOX15 P16050 3/20 0.34
CES1 P23141 3/20 0.34

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
SCHEMBL12833533 0.83 HDAC1 (0.39) TDP1ALDH1A1MAPK1TSHRGAA
SCHEMBL13066991 0.81 TDP1 (0.41) TDP1ALDH1A1MAPK1TSHRGAA
SCHEMBL21610779 0.78 CES2 (0.38) MAPK1GAACA1CA2CES1
SCHEMBL12337184 0.77 TDP1 (0.38) TDP1ALDH1A1MAPK1TSHRGAA
SCHEMBL1637843 0.76 AKR1C1 (0.45) TDP1ALDH1A1MAPK1TSHRGAA
SCHEMBL1637837 0.76 AKR1C1 (0.45) TDP1ALDH1A1MAPK1TSHRGAA
SCHEMBL23193036 0.74 NFE2L2 (0.38) TDP1ALDH1A1MAPK1TSHRGAA
SCHEMBL20305986 0.74 MTNR1A (0.38) TDP1ALDH1A1MAPK1TSHRGAA
SCHEMBL12963614 0.74 TDP1 (0.45) TDP1ALDH1A1MAPK1TSHRGAA
SCHEMBL19624772 0.74 AKT1 (0.39) TDP1ALDH1A1MAPK1TSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019152437-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2019-08-08 WO disclosed
US-7919507-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM LIMITED (GB) 2011-04-05 US disclosed
US-7741329-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM LIMITED (GB) 2010-06-22 US disclosed
US-20090093478-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.I.C. 2009-04-09 US disclosed
US-20090029986-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. 2009-01-29 US disclosed
US-20090012073-A1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM P.L.C. 2009-01-08 US disclosed
US-7432270-B2 N-aroyl cyclic amines SMITHKLINE BEECHAM P.L.C. (GB) 2008-10-07 US disclosed
EP-1385845-B1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM PLC (GB) 2008-01-09 EP 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 (3 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-20090012073-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB TDP1 2574/4885ALDH1A1 467/4885MAPK1 3892/4885
US-20090093478-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB TDP1 2574/4885ALDH1A1 467/4885MAPK1 3892/4885
US-20090029986-A1 N-AROYL CYCLIC AMINES AANAT, MAOA, MAOB TDP1 2574/4885ALDH1A1 467/4885MAPK1 3892/4885

“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.