SCHEMBL29969883

SCHEMBL29969883

CN(C)CCCOc1ncc(Br)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 8/20 0.56
CACNA1H O95180 6/20 0.56
HTT P42858 2/20 0.48
ALDH1A1 P00352 1/20 0.48
KDM1A O60341 2/20 0.44
PIK3CA P42336 3/20 0.43
MTOR P42345 2/20 0.43
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40
SLC40A1 Q9NP59 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL21513750 1.00 CACNA1B (0.56) CACNA1BCACNA1HHTTALDH1A1KDM1A
SCHEMBL29969350 0.91 EDNRB (0.46) CACNA1BCACNA1HHTTALDH1A1EDNRB
SCHEMBL21512821 0.91 EDNRB (0.46) CACNA1BCACNA1HHTTALDH1A1EDNRB
SCHEMBL21512959 0.90 CACNA1B (0.45) CACNA1BCACNA1HHTTALDH1A1SLC40A1
SCHEMBL21513747 0.89 CACNA1H (0.47) CACNA1BCACNA1HHTTALDH1A1SLC40A1
SCHEMBL29968785 0.89 CACNA1H (0.47) CACNA1BCACNA1HHTTALDH1A1SLC40A1
SCHEMBL29968351 0.89 CACNA1B (0.55) CACNA1BCACNA1HALDH1A1PIK3CAMTOR
SCHEMBL21512853 0.89 CACNA1B (0.55) CACNA1BCACNA1HALDH1A1PIK3CAMTOR
SCHEMBL21512860 0.88 CACNA1B (0.48) CACNA1BCACNA1HHTTALDH1A1
SCHEMBL29970513 0.88 CACNA1B (0.48) CACNA1BCACNA1HHTTALDH1A1

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 4862/4885HTT 2506/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 CACNA1B 4878/4885CACNA1H 4862/4885HTT 2506/4885

“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.