SCHEMBL17401233

SCHEMBL17401233

CCNC(=O)c1ccc(C(C)=O)s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.65
HDAC4 P56524 2/20 0.65
HDAC1 Q13547 2/20 0.65
GSK3B P49841 1/20 0.52
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 3/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 2/20 0.43
RXFP1 Q9HBX9 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ESR1 P03372 1/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 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
SCHEMBL6360616 0.85 GSK3B (0.53) HDAC6HDAC4HDAC1GSK3BPOLB
SCHEMBL16011573 0.85 HDAC4 (0.65) HDAC6HDAC4HDAC1POLBKMT2A
SCHEMBL18239527 0.85 HDAC4 (0.65) HDAC6HDAC4HDAC1POLBKMT2A
SCHEMBL6390977 0.83 GSK3B (0.50) HDAC6HDAC4HDAC1GSK3BPOLB
SCHEMBL16011515 0.81 HDAC1 (0.61) HDAC6HDAC4HDAC1POLBKMT2A
SCHEMBL12124277 0.81 KMT2A (0.69) HDAC6HDAC4HDAC1POLBKMT2A
SCHEMBL19316038 0.80 HDAC6 (0.56) HDAC6HDAC4HDAC1GSK3BPOLB
SCHEMBL16315254 0.79 GAA (0.69) HDAC6HDAC4HDAC1GSK3BPOLB
SCHEMBL12313374 0.79 RAB9A (0.63) HDAC6HDAC4HDAC1POLBKMT2A
SCHEMBL14627824 0.79 MAPK1 (0.64) HDAC6HDAC4HDAC1GSK3BKMT2A

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-20160002273-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-01-07 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-20160002273-A1 THIENO[3,2-D]PYRIMIDINE-6-CARBOXAMIDES AND ANALOGUES AS SIRTUIN MODULATORS SIRT2, SIRT1, SIRT6 HDAC6 21/4885HDAC4 54/4885HDAC1 15/4885

“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.