SCHEMBL775679

SCHEMBL775679

CSC(=O)c1cccc(C)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.59
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HPGD P15428 2/20 0.50
KCNK3 O14649 2/20 0.50
KCNK9 Q9NPC2 2/20 0.50
KCNH2 Q12809 1/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
POLB P06746 2/20 0.49
NT5E P21589 1/20 0.49
GRM5 P41594 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
ENPP3 O14638 1/20 0.45
ALPL P05186 1/20 0.45

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
SCHEMBL779316 0.85 PARP1 (0.61) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL778234 0.85 PARP1 (0.61) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL777251 0.84 PARP1 (0.55) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL5426377 0.83 PARP1 (0.59) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL12813994 0.82 PARP1 (0.57) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL778106 0.79 HPGD (0.54) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL13415413 0.79 TERT (0.54) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL5380374 0.78 TPMT (0.54) PARP1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL3753879 0.78 PARP1 (0.68) PARP1HDAC8HDAC6SMN1; SMN2MEN1
SCHEMBL186545 0.78 PARP1 (0.68) PARP1HDAC8HDAC6SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115911573-A Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2023-04-04 CN disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
US-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 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-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 PARP1 4659/4885HDAC8 3828/4885HDAC6 1381/4885

“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.