SCHEMBL6133640

SCHEMBL6133640

CSC(SC)=C(C(=O)c1ccccc1)c1ccc(=O)n(C(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
XBP1 P17861 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 1/20 0.38
POLB P06746 3/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BRD4 O60885 1/20 0.33
KDM4E B2RXH2 3/20 0.32
HPGD P15428 2/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
CES2 O00748 3/20 0.32
CES1 P23141 3/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL6133928 0.83 ALDH1A1 (0.41) LMNAALDH1A1MAPTXBP1NPSR1
SCHEMBL6539205 0.79 MAPT (0.44) LMNAALDH1A1MAPTXBP1NPSR1
SCHEMBL5151151 0.77 TP53 (0.37) LMNAALDH1A1MAPTXBP1NPSR1
SCHEMBL6134293 0.74 LMNA (0.40) LMNAALDH1A1MAPTXBP1NPSR1
SCHEMBL21384038 0.73 POLB (0.39) ALDH1A1TP53POLBBRD4KDM4E
SCHEMBL2376839 0.71 MAPT (0.58) LMNAALDH1A1MAPTXBP1NPSR1
SCHEMBL5149161 0.70 TP53 (0.39) LMNAALDH1A1MAPTTP53POLB
SCHEMBL27679545 0.68 ALDH1A1 (0.46) LMNAALDH1A1MAPK1RAB9ATP53
SCHEMBL5147931 0.67 POLB (0.44) LMNAALDH1A1MAPTMAPK1RAB9A
SCHEMBL21384009 0.66 MAPK1 (0.41) LMNAALDH1A1MAPTMAPK1RAB9A

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-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ASTELLAS PHARMA INC. (JP) 2005-02-24 US disclosed
WO-2003057689-A1 AMINOPYRIMIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-17 WO 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-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ADORA2B, ADORA2A, ADORA1 LMNA 3549/4885ALDH1A1 801/4885MAPT 1622/4885

“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.