SCHEMBL30423974

SCHEMBL30423974

COc1cc([N+](=O)[O-])c(Br)nc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ PRKDC P78527 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ TDP1 Q9NUW8 2/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ LMNA P02545 2/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ SIRT6 Q8N6T7 1/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ HTT P42858 2/20 0.40
▸ PKM P14618 1/20 0.39
▸ CYP2D6 P10635 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
SCHEMBL2144114 1.00 ALDH1A1 (0.49) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL3735675 0.86 ALDH1A1 (0.46) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL30423969 0.86 ALDH1A1 (0.46) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL17045570 0.78 HTT (0.46) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL10778338 0.76 ALDH1A1 (0.62) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL29800558 0.76 ALDH1A1 (0.68) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL210330 0.76 ALDH1A1 (0.68) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL1305847 0.76 ALDH1A1 (0.44) ALDH1A1KDM4ECYP3A4MAPTPRKDC
SCHEMBL228990 0.76 ALDH1A1 (0.58) ALDH1A1KDM4ECYP3A4MAPTALOX15
SCHEMBL25624229 0.76 CYP1A2 (0.53) ALDH1A1CYP3A4MAPTHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4695256-A2 ERBB2 INHIBITORS Cogent Biosciences, Inc. (US) 2026-02-18 — — EP disclosed
WO-2025227032-A1 METHODS FOR DEGRADATION OF CYCLIN K AND INHIBITION OF CYCLIN DEPENDENT KINASES REMIX THERAPEUTICS INC. (US) 2025-10-30 — — WO disclosed
WO-2025151724-A1 PYRIDINYLOXYPYRIDINES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS AND THEIR USE IN TREATING MEDICAL CONDITIONS RECTIFY PHARMACEUTICALS, INC. (US) 2025-07-17 — — WO disclosed
US-20250228835-A1 PYRIDINYLOXYPYRIDINES AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS RECTIFY PHARMACEUTICALS, INC. 2025-07-17 — — US disclosed
US-20250129078-A1 ERBB2 INHIBITORS COGENT BIOSCIENCES, INC. 2025-04-24 — — US disclosed
WO-2024215809-A2 ERBB2 INHIBITORS COGENT BIOSCIENCES, INC. (US) 2024-10-17 — — WO disclosed
CN-112312909-B Compounds for the treatment of kinase dependent disorders 埃克塞里艾克西斯公司 2024-07-02 — — CN disclosed
CN-116143763-A GAS41 targeting compound, GAS41 inhibitor and pharmaceutical composition and application thereof 清华大学 2023-05-23 — — CN 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-20250129078-A1 ERBB2 INHIBITORS ERBB2, ERBB3, EGFR ALDH1A1 4593/4885KDM4E 1834/4885CYP3A4 2427/4885
US-20250228835-A1 PYRIDINYLOXYPYRIDINES AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS P2RY6, P2RY4, PNPO ALDH1A1 1092/4885KDM4E 3462/4885CYP3A4 87/4885

“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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