SCHEMBL29969334

SCHEMBL29969334

O=[N+]([O-])c1cc(Br)cnc1N1CCSCC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
MAPK1 P28482 4/20 0.52
HTT P42858 1/20 0.52
MAPT P10636 6/20 0.45
THRB P10828 1/20 0.45
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 3/20 0.39
LMNA P02545 1/20 0.39
OPRK1 P41145 1/20 0.38
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35

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
SCHEMBL26128974 1.00 ALDH1A1 (0.52) ALDH1A1MAPK1HTTMAPTTHRB
SCHEMBL2711110 0.85 ALDH1A1 (0.71) ALDH1A1MAPK1HTTMAPTCYP1A2
SCHEMBL2713437 0.83 CYP1A2 (0.58) ALDH1A1MAPK1HTTMAPTCYP1A2
SCHEMBL26129852 0.83 ALDH1A1 (0.52) ALDH1A1MAPK1HTTMAPTCYP1A2
SCHEMBL29968906 0.83 ALDH1A1 (0.52) ALDH1A1MAPK1HTTMAPTCYP1A2
SCHEMBL26131334 0.82 ALDH1A1 (0.51) ALDH1A1MAPK1HTTMAPTCYP1A2
SCHEMBL26590315 0.82 ALDH1A1 (0.51) ALDH1A1MAPK1HTTMAPTCYP1A2
SCHEMBL29969191 0.82 ALDH1A1 (0.51) ALDH1A1MAPK1HTTMAPTCYP1A2
SCHEMBL3434191 0.81 ALDH1A1 (0.50) ALDH1A1MAPK1HTTMAPTCYP1A2
SCHEMBL31013246 0.81 ALDH1A1 (0.50) ALDH1A1MAPK1HTTMAPTCYP1A2

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 ALDH1A1 3354/4885MAPK1 1184/4885HTT 2506/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 ALDH1A1 3354/4885MAPK1 1184/4885HTT 2506/4885

“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.