SCHEMBL29679010

SCHEMBL29679010

CC(C)(C)OC(=O)NCc1cc(C=O)cc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.50
NQO2 P16083 1/20 0.44
HDAC10 Q969S8 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNA5 P22460 1/20 0.41
CYP1A2 P05177 1/20 0.41
NAMPT P43490 1/20 0.40
HDAC1 Q13547 1/20 0.39
GRM2 Q14416 1/20 0.39
ACACB O00763 2/20 0.39
GLS O94925 1/20 0.39
ACACA Q13085 1/20 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
SCHEMBL29678782 0.82 KDM4A (0.52) KDM4ANQO2HDAC10HDAC6CTSS
SCHEMBL21120764 0.82 KDM2B (0.44) NQO2NPC1RAB9AMEN1KMT2A
SCHEMBL29679115 0.79 KDM4A (0.53) KDM4ANQO2HDAC10HDAC6CTSS
SCHEMBL31420797 0.77 EGFR (0.43) KDM4ANQO2HDAC10HDAC6NPC1
SCHEMBL2553317 0.76 KDM4A (0.41) KDM4AHDAC10HDAC6NPC1RAB9A
SCHEMBL12206607 0.76 KDM4A (0.41) KDM4AHDAC10HDAC6CTSSCTSK
SCHEMBL2522260 0.76 NPC1 (0.42) KDM4ANQO2HDAC10HDAC6CTSS
SCHEMBL29952891 0.76 GLS (0.52) KDM4AHDAC10HDAC6NAMPTHDAC1
SCHEMBL209838 0.76 GLS (0.52) KDM4AHDAC10HDAC6NAMPTHDAC1
SCHEMBL8018113 0.75 KCNA5 (0.56) KDM4ANQO2HDAC10HDAC6CTSS

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
US-20230072421-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER BAYER AS (NO) 2023-03-09 US disclosed
EP-4003959-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER Bayer AS (NO) 2022-06-01 EP 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-20230072421-A1 TARGETED RADIOPHARMACEUTICALS FOR THE DIAGNOSIS AND TREATMENT OF PROSTATE CANCER KLK3, AR, SHBG KDM4A 4048/4885NQO2 201/4885HDAC10 143/4885

“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.