SCHEMBL16768136

SCHEMBL16768136

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
KCNH2 Q12809 1/20 0.38
HRH1 P35367 1/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 1/20 0.35
MAPK1 P28482 2/20 0.34
TSHR P16473 2/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 2/20 0.34
HPGD P15428 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
SCHEMBL16768044 0.76 MEN1 (0.43) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL16768138 0.75 HRH1 (0.38) SMN1; SMN2ALDH1A1HRH1HPGD
SCHEMBL11926965 0.73 HRH1 (0.45) HRH1GAANPC1POLB
SCHEMBL5524100 0.72 HSD17B10 (0.56) SMN1; SMN2ALDH1A1LMNAHRH1GAA
SCHEMBL21448896 0.72 ALDH1A1 (0.50) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL10223189 0.71 HRH1 (0.44) SMN1; SMN2ALDH1A1HRH1HPGD
SCHEMBL21419245 0.70 HRH1 (0.43) ALDH1A1HRH1MAPT
SCHEMBL1421878 0.69 RAB9A (0.60) SMN1; SMN2MEN1KMT2AALDH1A1GAA
SCHEMBL21448897 0.69 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2AALDH1A1HRH1
SCHEMBL7079640 0.68 HRH1 (0.42) SMN1; SMN2ALDH1A1HRH1HPGD

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-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 SMN1; SMN2 1778/4885MEN1 1746/4885KMT2A 3244/4885

“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.