SCHEMBL16768044

SCHEMBL16768044

C=C(Cc1csc(C(C)C)n1)OCC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SLC6A3 Q01959 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PTPRB P23467 1/20 0.35
LMNA P02545 3/20 0.35
KCNH2 Q12809 1/20 0.35
MAPK1 P28482 2/20 0.34
TSHR P16473 2/20 0.34
HTT P42858 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 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 0.84 SLC6A3 (0.40) MEN1KMT2ASLC6A3GAAALDH1A1
SCHEMBL5515633 0.82 MEN1 (0.65) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL16768136 0.76 SMN1; SMN2 (0.42) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL16768045 0.75 SLC6A3 (0.40) MEN1KMT2ASLC6A3SMN1; SMN2GAA
SCHEMBL2819185 0.73 SLC6A3 (0.47) MEN1KMT2ASLC6A3GAAALDH1A1
SCHEMBL5511169 0.72 HSD17B10 (0.56) MEN1KMT2ASLC6A3SMN1; SMN2GAA
SCHEMBL16768042 0.72 ALDH1A1 (0.50) MEN1KMT2ASLC6A3SMN1; SMN2GAA
SCHEMBL5516398 0.71 SLC6A3 (0.44) MEN1KMT2ASLC6A3SMN1; SMN2GAA
SCHEMBL129911 0.71 SLC6A3 (0.46) MEN1KMT2ASLC6A3ALDH1A1DRD2
SCHEMBL2439238 0.71 SLC6A3 (0.46) MEN1KMT2ASLC6A3ALDH1A1PTPRB

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 MEN1 1746/4885KMT2A 3244/4885SLC6A3 718/4885

“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.