SCHEMBL25813448

SCHEMBL25813448

CN1CCN(CCNC(=O)c2ccc3c(c2)c2c(n3C)CCCC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.59
KMT2A Q03164 3/20 0.55
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
PARP1 P09874 1/20 0.50
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HTR3A P46098 1/20 0.48
ALOX5 P09917 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 2/20 0.47

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
SCHEMBL25811726 0.98 RAD52 (0.59) RAD52KMT2AHDAC2HDAC8HDAC6
SCHEMBL25811779 0.95 KMT2A (0.58) RAD52KMT2APARP1MEN1MAPT
SCHEMBL25815123 0.95 KMT2A (0.61) RAD52KMT2APARP1MEN1MAPT
SCHEMBL25811762 0.94 KMT2A (0.62) RAD52KMT2APARP1MEN1MAPT
SCHEMBL25812597 0.92 KMT2A (0.58) RAD52KMT2APARP1MEN1MAPT
SCHEMBL25811754 0.92 KMT2A (0.61) RAD52KMT2APARP1MEN1MAPT
SCHEMBL25812566 0.90 KMT2A (0.62) KMT2APARP1MEN1HPGDALDH1A1
SCHEMBL25936813 0.81 ALOX5 (0.52) KMT2AMEN1MAPTALOX5PTGS1
SCHEMBL25811305 0.80 RAD52 (0.87) RAD52KMT2AHDAC2HDAC8HDAC6
SCHEMBL25936806 0.80 ALOX5 (0.51) KMT2AMEN1MAPTALOX5PTGS1

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-20230218573-A1 INDOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES GALYAN BIO INC (US) 2023-07-13 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-20230218573-A1 INDOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES HTT, HYPK, PARK7 RAD52 1790/4885KMT2A 981/4885HDAC2 780/4885

“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.