SCHEMBL31364464

SCHEMBL31364464

N#Cc1cccc(CN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.56
▸ CASP3 P42574 1/20 0.53
▸ GRM5 P41594 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.50
▸ BRD4 O60885 1/20 0.50
▸ ADRA1D P25100 2/20 0.48
▸ ADRA1A P35348 2/20 0.48
▸ ADRA1B P35368 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ CYP19A1 P11511 1/20 0.48
▸ CYP11B1 P15538 1/20 0.48
▸ CYP11B2 P19099 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ PDCD1 Q15116 1/20 0.46
▸ CD274 Q9NZQ7 1/20 0.46
▸ TNF P01375 1/20 0.46

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
SCHEMBL4379040 1.00 KMT2A (0.56) KMT2ACASP3GRM5NPSR1BRD4
SCHEMBL10927175 0.94 KMT2A (0.51) KMT2ACASP3GRM5NPSR1BRD4
SCHEMBL10926803 0.90 ADRA1D (0.55) KMT2ACASP3GRM5NPSR1BRD4
SCHEMBL10927835 0.88 KMT2A (0.48) KMT2ACASP3GRM5NPSR1BRD4
SCHEMBL10927830 0.88 KMT2A (0.48) KMT2ACASP3GRM5NPSR1BRD4
SCHEMBL16862983 0.86 KDM4E (0.66) KMT2AGRM5NPSR1BRD4ADRA1D
SCHEMBL21997738 0.85 CASP3 (0.55) KMT2ACASP3GRM5BRD4ADRA1D
SCHEMBL10925461 0.84 ADRA1D (0.58) KMT2ACASP3NPSR1ADRA1DADRA1A
SCHEMBL18954624 0.84 ALDH1A1 (0.64) BRD4PKMTSHRALDH1A1MAPT
SCHEMBL2258501 0.83 KMT2A (0.70) KMT2ACASP3NPSR1PKMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260062407-A1 PEROXIREDOXIN 3 INHIBITORS AND METHODS OF USE FOR TREATING CANCER UNIV WAKE FOREST HEALTH SCIENCES (US) 2026-03-05 — — US disclosed
WO-2025260150-A1 NOVEL N-BENZYL PHTHALIMIDES FOR THE TREATMENT OF PAIN. METHODS OF PREPARATION AND THERAPEUTIC USE MICROBIOLÓGICA QUÍMICA E FARMACÊUTICA LTDA. (BR) 2025-12-26 — — WO disclosed
US-20250381278-A1 PEROXIREDOXIN 3 INHIBITORS AND METHODS OF USE FOR TREATING CANCER UNIV WAKE FOREST HEALTH SCIENCES (US) 2025-12-18 — — US disclosed
US-20250011316-A1 PEROXIREDOXIN 3 INHIBITORS AND METHODS OF USE FOR TREATING CANCER WAKE FOREST UNIVERSITY HEALTH SCIENCES 2025-01-09 — — 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 (3 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-20260062407-A1 PEROXIREDOXIN 3 INHIBITORS AND METHODS OF USE FOR TREATING CANCER PRDX1, PRDX3, PRDX2 KMT2A 4417/4885CASP3 74/4885GRM5 2890/4885
US-20250011316-A1 PEROXIREDOXIN 3 INHIBITORS AND METHODS OF USE FOR TREATING CANCER PRDX1, PRDX2, PRDX6 KMT2A 2870/4885CASP3 87/4885GRM5 1992/4885
US-20250381278-A1 PEROXIREDOXIN 3 INHIBITORS AND METHODS OF USE FOR TREATING CANCER PRDX1, PRDX2, PRDX6 KMT2A 2813/4885CASP3 85/4885GRM5 2127/4885

“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.

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