SCHEMBL30933352

SCHEMBL30933352

COc1ccccc1Nc1nc(NCCCO)c2ccccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 8/20 1.00
HTT P42858 3/20 0.85
USP2 O75604 1/20 0.85
TSHR P16473 1/20 0.85
KMT2A Q03164 2/20 0.70
POLB P06746 2/20 0.70
MERTK Q12866 3/20 0.69
KDM4E B2RXH2 2/20 0.61
MAPT P10636 1/20 0.61
MAPK1 P28482 1/20 0.61
RECQL P46063 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
TAAR1 Q96RJ0 3/20 0.61
SLC2A1 P11166 1/20 0.59
GBA1 P04062 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL18282619 1.00 RAD52 (1.00) RAD52HTTUSP2TSHRKMT2A
SCHEMBL10031967 0.93 RAD52 (0.98) RAD52HTTUSP2TSHRKMT2A
SCHEMBL18282544 0.89 RAD52 (1.00) RAD52HTTUSP2TSHRKMT2A
SCHEMBL18282654 0.84 RAD52 (1.00) RAD52HTTUSP2TSHRKMT2A
SCHEMBL30933262 0.84 RAD52 (1.00) RAD52HTTUSP2TSHRKMT2A
SCHEMBL2583768 0.82 RAD52 (0.71) RAD52HTTUSP2TSHRKMT2A
SCHEMBL8900319 0.79 NPY5R (0.67) RAD52HTTUSP2TSHRKMT2A
Hydrochloric Acid SCHEMBL8891019 0.78 SLC2A1 (0.70) RAD52HTTUSP2TSHRKMT2A
SCHEMBL26645968 0.76 TAAR1 (0.98) RAD52HTTUSP2TSHRKMT2A
SCHEMBL22633484 0.76 TAAR1 (0.85) RAD52HTTTSHRKMT2APOLB

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-20240199636-A1 Inhibitors of RAD52 Recombination Protein and Methods Using Same UNIV DREXEL (US) 2024-06-20 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-20240199636-A1 Inhibitors of RAD52 Recombination Protein and Methods Using Same RAD52, RAD50, MRE11 RAD52 1/4885HTT 2986/4885USP2 170/4885

“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.