SCHEMBL25395239

SCHEMBL25395239

Nc1nc(/C=C/c2cn3ccccc3n2)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
PKM P14618 3/20 0.42
NPC1 O15118 10/20 0.38
RAB9A P51151 10/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
ALOX12 P18054 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
KDM4E B2RXH2 7/20 0.36
POLB P06746 2/20 0.36

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
SCHEMBL25395244 1.00 HDAC1 (0.48) HDAC1HDAC2PKMNPC1RAB9A
SCHEMBL9605459 0.75 HDAC1 (0.48) HDAC1HDAC2PKMNPC1RAB9A
SCHEMBL25393170 0.75 GAA (0.36) PKMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL25393166 0.75 GAA (0.36) PKMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL18851551 0.73 HDAC1 (0.49) HDAC1HDAC2PKMNPC1RAB9A
SCHEMBL7239055 0.72 GRM4 (0.53) PKMNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL7239050 0.72 GRM4 (0.53) PKMNPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL871327 0.70 PTGS1 (0.51) HDAC1HDAC2PKMNPC1RAB9A
SCHEMBL27899681 0.70 PTGS1 (0.47) HDAC1HDAC2PKMNPC1RAB9A
SCHEMBL15033460 0.70 PDE10A (0.55) HDAC1HDAC2NPC1RAB9ASMN1; SMN2

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-20230286973-A1 PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2023-09-14 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-20230286973-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G HDAC1 4230/4885HDAC2 4413/4885PKM 4202/4885

“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.