SCHEMBL29969401

SCHEMBL29969401

COc1ccc(S(=O)(=O)Nc2cc(Br)cnc2OCCCN(C)C)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.41
CACNA1B Q00975 8/20 0.40
CACNA1H O95180 6/20 0.40
S100A9 P06702 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PABPC1 P11940 1/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37

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
SCHEMBL21512963 1.00 CCR4 (0.41) CCR4CACNA1BCACNA1HS100A9MEN1
SCHEMBL21513773 0.88 CACNA1B (0.41) CCR4CACNA1BCACNA1HMEN1KMT2A
SCHEMBL29969100 0.88 CACNA1B (0.41) CCR4CACNA1BCACNA1HMEN1KMT2A
SCHEMBL29969263 0.88 CACNA1B (0.48) CACNA1BCACNA1HHTTALDH1A1LMNA
SCHEMBL21513746 0.88 CACNA1B (0.48) CACNA1BCACNA1HHTTALDH1A1LMNA
SCHEMBL21513455 0.87 LMNA (0.48) CACNA1BCACNA1HMEN1KMT2AHTT
SCHEMBL29969861 0.87 LMNA (0.48) CACNA1BCACNA1HMEN1KMT2AHTT
SCHEMBL21512959 0.86 CACNA1B (0.45) CACNA1BCACNA1HS100A9HTTALDH1A1
SCHEMBL21513762 0.85 ALDH1A1 (0.48) CCR4CACNA1BCACNA1HMEN1KMT2A
SCHEMBL29968192 0.85 ALDH1A1 (0.48) CCR4CACNA1BCACNA1HMEN1KMT2A

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-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy XRAD THERAPEUTICS, INC. (US) 2025-01-07 US disclosed
US-20220315606-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD HOLDING CAYMAN LIMITED (KY) 2022-10-06 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 (2 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-20220315606-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY ATM, CHEK2, CHEK1 CCR4 4246/4885CACNA1B 4878/4885CACNA1H 4862/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 CCR4 4246/4885CACNA1B 4878/4885CACNA1H 4862/4885

“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.