SCHEMBL3436840

SCHEMBL3436840

CCCNC(=O)c1csc(C(C)C)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.53
GAA P10253 2/20 0.49
HIF1A Q16665 1/20 0.44
PANK3 Q9H999 1/20 0.43
HDAC1 Q13547 4/20 0.41
HDAC6 Q9UBN7 4/20 0.41
TP53 P04637 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC3 O15379 3/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL26703526 0.89 TLR7 (0.55) TLR7GAAHIF1APANK3HDAC1
SCHEMBL5539327 0.85 TLR7 (0.51) TLR7GAAHIF1APANK3HDAC1
SCHEMBL5537257 0.82 TLR7 (0.53) TLR7HIF1APANK3HDAC1HDAC6
SCHEMBL14844994 0.81 TLR7 (0.58) TLR7GAAHDAC1HDAC6HDAC8
SCHEMBL23193124 0.81 TLR7 (0.52) TLR7HIF1APANK3HDAC1HDAC6
SCHEMBL3436865 0.80 HDAC3 (0.61) GAAHIF1AHDAC1HDAC6TP53
SCHEMBL162465 0.80 GAA (0.52) GAAHIF1APANK3HDAC1HDAC6
SCHEMBL22644581 0.79 TLR7 (0.60) TLR7GAAHDAC1HDAC6HDAC8
SCHEMBL18736222 0.78 GAA (0.51) GAAHIF1APANK3HDAC1HDAC6
SCHEMBL26702879 0.78 TLR7 (0.58) TLR7HDAC1HDAC6TP53HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348456-A1 QUINAZOLINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME REPARE THERAPEUTICS INC. (CA) 2023-11-02 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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 (2 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-20230348456-A1 QUINAZOLINONES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND METHODS OF USING THE SAME CSNK1A1, CSNK1G1, CSNK1G3 TLR7 4457/4885GAA 2579/4885HIF1A 4320/4885
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 TLR7 1129/4885GAA 3904/4885HIF1A 2016/4885

“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.