SCHEMBL25478641

SCHEMBL25478641

NC(=O)c1cnc(-c2ccccc2)[nH]1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.74
SCN2A Q99250 3/20 0.52
NPY5R Q15761 2/20 0.52
NQO2 P16083 1/20 0.50
PARP1 P09874 2/20 0.45
RECQL P46063 1/20 0.45
HPGDS O60760 3/20 0.45
CHEK2 O96017 2/20 0.44
DHODH Q02127 1/20 0.43
BRD4 O60885 1/20 0.42
USP30 Q70CQ3 1/20 0.42
CYP1A2 P05177 2/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL3057838 0.85 PIN1 (1.00) PIN1SCN2ANPY5RNQO2RECQL
SCHEMBL14248239 0.83 PIN1 (0.51) PIN1NQO2PARP1CHEK2DHODH
SCHEMBL10242707 0.82 PIN1 (0.74) PIN1SCN2ANPY5RNQO2RECQL
SCHEMBL23833724 0.82 PIN1 (0.74) PIN1SCN2ANPY5RNQO2RECQL
SCHEMBL23832719 0.81 PIN1 (0.72) PIN1SCN2ANPY5RNQO2RECQL
SCHEMBL8740569 0.79 PIN1 (0.70) PIN1SCN2ANPY5RNQO2RECQL
SCHEMBL25139612 0.78 PIN1 (0.68) PIN1SCN2ANPY5RNQO2RECQL
SCHEMBL4416642 0.78 PIN1 (0.68) PIN1SCN2ANPY5RNQO2RECQL
SCHEMBL11666314 0.78 PIN1 (0.54) PIN1SCN2ANPY5RNQO2PARP1
SCHEMBL8741207 0.75 PIN1 (0.54) PIN1SCN2ANPY5RNQO2RECQL

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-114315754-B Hydroxamic acid compound and application thereof 南方医科大学 2023-06-06 CN disclosed
CN-114315754-B Hydroxamic acid compound and application thereof 南方医科大学 2023-06-06 CN disclosed
US-20230159509-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-05-25 US disclosed
US-20230159509-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-05-25 US disclosed
CN-114315754-A Hydroxamic acid compound and application thereof 南方医科大学 2022-04-12 CN disclosed
CN-114315754-A Hydroxamic acid compound and application thereof 南方医科大学 2022-04-12 CN 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-20230159509-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF TRAP1, PINK1, PPM1D PIN1 3297/4885SCN2A 1029/4885NPY5R 3043/4885

“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.