SCHEMBL29968192

SCHEMBL29968192

Cc1ccc(S(=O)(=O)Nc2cc(Br)cnc2OCCCN(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
ALOX15 P16050 1/20 0.45
CACNA1B Q00975 7/20 0.45
CACNA1H O95180 5/20 0.45
CCR4 P51679 1/20 0.45
HTT P42858 1/20 0.44
METAP2 P50579 1/20 0.44
KDM4E B2RXH2 2/20 0.42
EDNRB P24530 1/20 0.42
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL21513762 1.00 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL29968351 0.90 CACNA1B (0.55) ALDH1A1MEN1KMT2ACACNA1BCACNA1H
SCHEMBL21512853 0.90 CACNA1B (0.55) ALDH1A1MEN1KMT2ACACNA1BCACNA1H
SCHEMBL29970032 0.90 CACNA1B (0.51) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL21513746 0.89 CACNA1B (0.48) ALDH1A1SMN1; SMN2CACNA1BCACNA1HHTT
SCHEMBL21513773 0.89 CACNA1B (0.41) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL29969100 0.89 CACNA1B (0.41) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL29969263 0.89 CACNA1B (0.48) ALDH1A1SMN1; SMN2CACNA1BCACNA1HHTT
SCHEMBL21512821 0.89 EDNRB (0.46) ALDH1A1SMN1; SMN2CACNA1BCACNA1HHTT
SCHEMBL29969350 0.89 EDNRB (0.46) ALDH1A1SMN1; SMN2CACNA1BCACNA1HHTT

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 ALDH1A1 3354/4885MAPT 2006/4885SMN1; SMN2 2359/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 ALDH1A1 3354/4885MAPT 2006/4885SMN1; SMN2 2359/4885

“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.