SCHEMBL29969100

SCHEMBL29969100

Cc1ccc(S(=O)(=O)Nc2cc(Br)cnc2OCCCN(C)C)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 10/20 0.41
CACNA1H O95180 8/20 0.41
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.37
GAA P10253 1/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CCR4 P51679 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36

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
SCHEMBL21513773 1.00 CACNA1B (0.41) CACNA1BCACNA1HALDH1A1MEN1MAPT
SCHEMBL29968192 0.89 ALDH1A1 (0.48) CACNA1BCACNA1HALDH1A1MEN1MAPT
SCHEMBL21513762 0.89 ALDH1A1 (0.48) CACNA1BCACNA1HALDH1A1MEN1MAPT
SCHEMBL21513455 0.89 LMNA (0.48) CACNA1BCACNA1HALDH1A1MEN1MAPT
SCHEMBL29969861 0.89 LMNA (0.48) CACNA1BCACNA1HALDH1A1MEN1MAPT
SCHEMBL21512959 0.88 CACNA1B (0.45) CACNA1BCACNA1HALDH1A1HTT
SCHEMBL29969401 0.88 CCR4 (0.41) CACNA1BCACNA1HALDH1A1MEN1MAPT
SCHEMBL21512963 0.88 CCR4 (0.41) CACNA1BCACNA1HALDH1A1MEN1MAPT
SCHEMBL21513456 0.88 SLC40A1 (0.44) CACNA1BCACNA1HSMN1; SMN2HTT
SCHEMBL29969232 0.88 SLC40A1 (0.44) CACNA1BCACNA1HSMN1; SMN2HTT

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 CACNA1B 4878/4885CACNA1H 4862/4885ALDH1A1 3354/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 CACNA1B 4878/4885CACNA1H 4862/4885ALDH1A1 3354/4885

“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.