SCHEMBL6467711

SCHEMBL6467711

NC(=O)c1csc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 2/20 0.48
MAPT P10636 7/20 0.47
NPSR1 Q6W5P4 3/20 0.46
TSHR P16473 2/20 0.46
PTPRC P08575 1/20 0.44
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
HSP90AA1 P07900 1/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43
PARP1 P09874 1/20 0.42
PAX8 Q06710 1/20 0.39
GRM8 O00222 2/20 0.39
GRM4 Q14833 2/20 0.39

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
SCHEMBL713292 0.82 GAA (0.49) GAAMAPTNPSR1TSHRPTPRC
SCHEMBL9005060 0.82 GAA (0.49) GAAMAPTNPSR1TSHRPTPRC
SCHEMBL6328287 0.81 GAA (0.43) CYP3A4SMN1; SMN2GAAMAPTNPSR1
SCHEMBL28371251 0.81 GAA (0.43) CYP3A4SMN1; SMN2GAAMAPTNPSR1
SCHEMBL3057004 0.81 GAA (0.48) CYP3A4SMN1; SMN2GAAMAPTNPSR1
SCHEMBL18499649 0.81 MAPT (0.50) SMN1; SMN2GAAMAPTNPSR1PTPRC
SCHEMBL18430410 0.77 MAPT (0.50) SMN1; SMN2GAAMAPTNPSR1PTPRC
SCHEMBL3884152 0.77 MAPT (0.50) GAAMAPTNPSR1PTPRCKMT2A
SCHEMBL20261868 0.77 MAPT (0.60) SMN1; SMN2GAAMAPTNPSR1PTPRC
SCHEMBL8630112 0.76 GAA (0.51) SMN1; SMN2GAAMAPTNPSR1PTPRC

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
CN-116710430-A Methods and compounds for restoring mutant p53 function 皮姆维制药公司 2023-09-05 CN disclosed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 CYP3A4 284/4885SMN1; SMN2 1477/4885GAA 484/4885

“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.