SCHEMBL29969350

SCHEMBL29969350

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EDNRB P24530 2/20 0.46
▸ CACNA1B Q00975 5/20 0.46
▸ CACNA1H O95180 4/20 0.46
▸ CCR9 P51686 2/20 0.44
▸ EDNRA P25101 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GLO1 Q04760 1/20 0.40
▸ PIK3CD O00329 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
SCHEMBL21512821 1.00 EDNRB (0.46) EDNRBCACNA1BCACNA1HCCR9EDNRA
SCHEMBL21513750 0.91 CACNA1B (0.56) EDNRBCACNA1BCACNA1HEDNRAALDH1A1
SCHEMBL29969883 0.91 CACNA1B (0.56) EDNRBCACNA1BCACNA1HEDNRAALDH1A1
SCHEMBL21513762 0.89 ALDH1A1 (0.48) EDNRBCACNA1BCACNA1HALDH1A1HTT
SCHEMBL29968192 0.89 ALDH1A1 (0.48) EDNRBCACNA1BCACNA1HALDH1A1HTT
SCHEMBL21512853 0.88 CACNA1B (0.55) CACNA1BCACNA1HALDH1A1
SCHEMBL29968351 0.88 CACNA1B (0.55) CACNA1BCACNA1HALDH1A1
SCHEMBL29970032 0.87 CACNA1B (0.51) CACNA1BCACNA1HALDH1A1SMN1; SMN2PIK3CD
SCHEMBL21513746 0.87 CACNA1B (0.48) CACNA1BCACNA1HCCR9ALDH1A1HTT
SCHEMBL29969263 0.87 CACNA1B (0.48) CACNA1BCACNA1HCCR9ALDH1A1HTT

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 4 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
EP-4327877-A2 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRad Therapeutics, Inc. (US) 2024-02-28 — — EP disclosed
EP-3784671-B1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS INC (US) 2023-10-11 — — EP 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 EDNRB 2482/4885CACNA1B 4878/4885CACNA1H 4862/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 EDNRB 2482/4885CACNA1B 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.

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