SCHEMBL16768045

SCHEMBL16768045

C=C(Cc1csc(C(C)C)n1)NC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.40
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ADORA2A P29274 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TLR7 Q9NYK1 1/20 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
SCHEMBL16768134 0.81 SLC6A3 (0.40) SLC6A3DRD2HTR2AHRH1ALDH1A1
SCHEMBL16768040 0.81 SLC6A3 (0.43) SLC6A3ALDH1A1NPC1PIK3CDPIK3CA
SCHEMBL16768044 0.75 MEN1 (0.43) SLC6A3DRD2HTR2AHRH1ALDH1A1
SCHEMBL5511169 0.75 HSD17B10 (0.56) SLC6A3DRD2HTR2AHRH1ALDH1A1
SCHEMBL16768138 0.74 HRH1 (0.38) HRH1ALDH1A1SMN1; SMN2GABRA5GABRB2
SCHEMBL16768042 0.74 ALDH1A1 (0.50) SLC6A3ALDH1A1NPC1GAAMAPT
SCHEMBL902615 0.74 SLC6A3 (0.44) SLC6A3DRD2HTR2AHRH1ALDH1A1
SCHEMBL5516398 0.73 SLC6A3 (0.44) SLC6A3DRD2HTR2AHRH1ALDH1A1
SCHEMBL129911 0.73 SLC6A3 (0.46) SLC6A3DRD2HTR2AHRH1ALDH1A1
SCHEMBL2439238 0.73 SLC6A3 (0.46) SLC6A3DRD2HTR2AHRH1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340538-B2 Dihydropyrimidine compounds and their application in pharmaceuticals SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-05-17 US disclosed
US-20150152096-A1 DIHYDROPYRIMIDINE COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-06-04 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-20150152096-A1 DIHYDROPYRIMIDINE COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS DPYD, SLC10A1, HPRT1 SLC6A3 718/4885DRD2 4184/4885HTR2A 3110/4885

“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.