SCHEMBL29970032

SCHEMBL29970032

CN(C)CCCOc1ncc(Br)cc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 9/20 0.51
▸ CACNA1H O95180 7/20 0.51
▸ PIK3CG P48736 2/20 0.44
▸ SLC40A1 Q9NP59 1/20 0.43
▸ HTR6 P50406 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CCR4 P51679 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ PIK3CA P42336 3/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ PIK3R1 P27986 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ MTOR P42345 1/20 0.39

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
SCHEMBL29969654 0.97 CACNA1B (0.47) CACNA1BCACNA1HPIK3CGSLC40A1HTR6
SCHEMBL26130327 0.97 CACNA1B (0.47) CACNA1BCACNA1HPIK3CGSLC40A1HTR6
SCHEMBL29969232 0.90 SLC40A1 (0.44) CACNA1BCACNA1HSLC40A1SMN1; SMN2TSHR
SCHEMBL21513456 0.90 SLC40A1 (0.44) CACNA1BCACNA1HSLC40A1SMN1; SMN2TSHR
SCHEMBL29968192 0.90 ALDH1A1 (0.48) CACNA1BCACNA1HKMT2AMAPTMEN1
SCHEMBL21513762 0.90 ALDH1A1 (0.48) CACNA1BCACNA1HKMT2AMAPTMEN1
SCHEMBL21512853 0.89 CACNA1B (0.55) CACNA1BCACNA1HKMT2AMEN1ALDH1A1
SCHEMBL29968351 0.89 CACNA1B (0.55) CACNA1BCACNA1HKMT2AMEN1ALDH1A1
SCHEMBL21513746 0.88 CACNA1B (0.48) CACNA1BCACNA1HALDH1A1SMN1; SMN2TSHR
SCHEMBL29969263 0.88 CACNA1B (0.48) CACNA1BCACNA1HALDH1A1SMN1; SMN2TSHR

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 CACNA1B 4878/4885CACNA1H 4862/4885PIK3CG 1125/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 CACNA1B 4878/4885CACNA1H 4862/4885PIK3CG 1125/4885

“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.

Send feedback