SCHEMBL20890004

SCHEMBL20890004

CNC1Cc2ccc(SC)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
HTR7 P34969 2/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA12 O43570 2/20 0.33
CA7 P43166 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA9 Q16790 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL20890002 0.86 DRD3 (0.47) ALDH1A1HPGDSMN1; SMN2LMNADRD2
SCHEMBL23519465 0.79 HTR7 (0.37) ALDH1A1HPGDSMN1; SMN2LMNAHTR7
SCHEMBL11452204 0.78 CA1 (0.58) IDO1ALDH1A1HPGDSMN1; SMN2CA1
SCHEMBL11444098 0.77 CA1 (0.46) ALDH1A1HTR7DRD2DRD3CA1
SCHEMBL22547547 0.75 ACHE (0.39) ALDH1A1DRD2DRD4DRD3CA1
SCHEMBL11974565 0.75 ACHE (0.39) ALDH1A1DRD2DRD4DRD3CA1
SCHEMBL20884613 0.74 DRD2 (0.44) DRD2DRD4DRD3SIGMAR1
SCHEMBL25086364 0.74 HTR7 (0.34) ALDH1A1SMN1; SMN2HTR7HTR2AHTR2C
SCHEMBL22547542 0.73 PNMT (0.41) DRD2DRD4DRD3CA1CA2
SCHEMBL2876799 0.73 PNMT (0.49)

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-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 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-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 IDO1 2729/4885ALDH1A1 2869/4885HPGD 286/4885

“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.