SCHEMBL29969654

SCHEMBL29969654

CN(C)CCCCOc1ncc(Br)cc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 6/20 0.47
▸ CACNA1H O95180 4/20 0.47
▸ PIK3CG P48736 2/20 0.43
▸ SLC40A1 Q9NP59 1/20 0.43
▸ KMT2A Q03164 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CCR4 P51679 1/20 0.41
▸ F2 P00734 3/20 0.40
▸ PIK3CA P42336 2/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ PIK3R1 P27986 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 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
SCHEMBL26130327 1.00 CACNA1B (0.47) CACNA1BCACNA1HPIK3CGSLC40A1KMT2A
SCHEMBL29970032 0.97 CACNA1B (0.51) CACNA1BCACNA1HPIK3CGSLC40A1KMT2A
SCHEMBL29969232 0.87 SLC40A1 (0.44) CACNA1BCACNA1HSLC40A1SMN1; SMN2PIK3CA
SCHEMBL21513456 0.87 SLC40A1 (0.44) CACNA1BCACNA1HSLC40A1SMN1; SMN2PIK3CA
SCHEMBL29968192 0.87 ALDH1A1 (0.48) CACNA1BCACNA1HKMT2AMAPTALDH1A1
SCHEMBL21513762 0.87 ALDH1A1 (0.48) CACNA1BCACNA1HKMT2AMAPTALDH1A1
SCHEMBL21512853 0.86 CACNA1B (0.55) CACNA1BCACNA1HKMT2AALDH1A1MEN1
SCHEMBL29968351 0.86 CACNA1B (0.55) CACNA1BCACNA1HKMT2AALDH1A1MEN1
SCHEMBL21513746 0.85 CACNA1B (0.48) CACNA1BCACNA1HALDH1A1SMN1; SMN2PIK3CA
SCHEMBL29969263 0.85 CACNA1B (0.48) CACNA1BCACNA1HALDH1A1SMN1; SMN2PIK3CA

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 4862/4885PIK3CG 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.

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