SCHEMBL29969232

SCHEMBL29969232

CN(C)CCCOc1ncc(Br)cc1NS(=O)(=O)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 6/20 0.44
GLO1 Q04760 1/20 0.43
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
CACNA1B Q00975 5/20 0.41
CACNA1H O95180 3/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
CKS1B P61024 3/20 0.39
SKP2 Q13309 3/20 0.39
CCR2 P41597 1/20 0.38
CHRNB2 P17787 1/20 0.38

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
SCHEMBL21513456 1.00 SLC40A1 (0.44) SLC40A1GLO1PIK3CAMTORCACNA1B
SCHEMBL29970032 0.90 CACNA1B (0.51) SLC40A1PIK3CAMTORCACNA1BCACNA1H
SCHEMBL29969100 0.88 CACNA1B (0.41) CACNA1BCACNA1HHTTSMN1; SMN2
SCHEMBL21513773 0.88 CACNA1B (0.41) CACNA1BCACNA1HHTTSMN1; SMN2
SCHEMBL29969654 0.87 CACNA1B (0.47) SLC40A1PIK3CACACNA1BCACNA1HTSHR
SCHEMBL26130327 0.87 CACNA1B (0.47) SLC40A1PIK3CACACNA1BCACNA1HTSHR
SCHEMBL21513762 0.85 ALDH1A1 (0.48) CACNA1BCACNA1HHTTSMN1; SMN2
SCHEMBL29968192 0.85 ALDH1A1 (0.48) CACNA1BCACNA1HHTTSMN1; SMN2
SCHEMBL21512855 0.85 KEAP1 (0.47) SLC40A1GLO1CACNA1BCACNA1HKEAP1
SCHEMBL29968164 0.85 KEAP1 (0.47) SLC40A1GLO1CACNA1BCACNA1HKEAP1

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 SLC40A1 4123/4885GLO1 4474/4885PIK3CA 480/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 SLC40A1 4123/4885GLO1 4474/4885PIK3CA 480/4885

“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.