Sugi Predict

Sugi Predict / Compounds / SCHEMBL29970941

SCHEMBL29970941

SCHEMBL29970941

CN(C)CCCOc1ncc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.38
▸ GAA P10253 1/20 0.38
▸ HRH3 Q9Y5N1 3/20 0.38
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ THRA P10827 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ USP7 Q93009 1/20 0.36
▸ USP47 Q96K76 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TOP2A P11388 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL25355126 1.00 KDM4E (0.38) KDM4EGAAHRH3CHRNB2CHRNA4
SCHEMBL26131845 0.96 ALDH1A1 (0.41) KDM4EGAAHRH3CHRNB2CHRNA4
SCHEMBL29969078 0.96 ALDH1A1 (0.41) KDM4EGAAHRH3CHRNB2CHRNA4
SCHEMBL26132118 0.86 VCAM1 (0.38) LMNA
SCHEMBL18759837 0.86 KDM4E (0.40) KDM4EGAACYP1A2CYP2D6THRA
SCHEMBL29970318 0.86 VCAM1 (0.38) LMNA
SCHEMBL18759836 0.86 KDM4E (0.40) KDM4EGAACYP1A2CYP2D6THRA
SCHEMBL30866908 0.83 PIN1 (0.34) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL26131204 0.83 PIN1 (0.34) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL26132743 0.83 ALDH1A1 (0.40) KDM4EGAACYP1A2CYP2D6THRA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119954828-A Parallel ring compound and preparation and application thereof 石药集团中奇制药技术（石家庄）有限公司 2025-05-09 — — CN disclosed
CN-116322699-B Parallel ring compound and preparation and application thereof 石药集团中奇制药技术（石家庄）有限公司 2025-02-11 — — CN disclosed
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
CN-116322699-A Parallel ring compound and preparation and application thereof 石药集团中奇制药技术（石家庄）有限公司 2023-06-23 — — CN 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 KDM4E 1653/4885GAA 643/4885HRH3 3780/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 KDM4E 1653/4885GAA 643/4885HRH3 3780/4885

“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.