SCHEMBL5727673

SCHEMBL5727673

NC(=O)C1=Nc2ccccc2NC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 3/20 0.34
TRPA1 O75762 1/20 0.33
GAA P10253 1/20 0.33
HSD17B3 P37058 1/20 0.33
MAPT P10636 5/20 0.32
HSD17B10 Q99714 2/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
PARP1 P09874 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL31319868 1.00 NOS3 (0.34) NOS3NOS1NOS2ALDH1A1LMNA
SCHEMBL3952885 0.84 ALDH1A1 (0.38) ALDH1A1LMNATRPA1GAAHSD17B3
SCHEMBL27980877 0.83 ALDH1A1 (0.34) ALDH1A1LMNAGAAHSD17B3MAPT
SCHEMBL27334616 0.80 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B3MAPTHSD17B10
SCHEMBL4111485 0.80 NOS2 (0.44) NOS3NOS1NOS2ALDH1A1LMNA
SCHEMBL31434931 0.77 PARP1 (0.36) ALDH1A1MAPTHSD17B10PARP1SMN1; SMN2
SCHEMBL23093721 0.75 MAPK1 (0.39) ALDH1A1LMNAGAAHSD17B3MAPT
SCHEMBL24290549 0.73 MAPT (0.32) MAPTHSD17B10SMN1; SMN2ALOX15
SCHEMBL8317265 0.72 ALOX15 (0.36) ALDH1A1LMNAGAAHSD17B3MAPT
SCHEMBL28223560 0.70 MAPT (0.36) ALDH1A1LMNAGAAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023191379-A1 3,4-DIHYDROQUINOXALINE-2-CARBOXIMIDE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME FOR PREVENTING OR TREATING CANCER DISEASE 재단법인 대구경북첨단의료산업진흥재단 2023-10-05 WO claimed
US-20260124198-A1 ANTIVIRAL PYRAZOLOPYRIDINONE COMPOUNDS GILEAD SCIENCES INC (US) 2026-05-07 US disclosed
US-20250214947-A1 3,4-DIHYDROQUINOXALINE-2-CARBOXIMIDE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME FOR PREVENTING OR TREATING CANCER DISEASE CUREVERSE INCORPORATED (KR) 2025-07-03 US disclosed
EP-4501917-A1 3,4-DIHYDROQUINOXALINE-2-CARBOXIMIDE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME FOR PREVENTING OR TREATING CANCER DISEASE Daegu-Gyeongbuk Medical Innovation Foundation (KR) 2025-02-05 EP disclosed
WO-2023191379-A1 3,4-DIHYDROQUINOXALINE-2-CARBOXIMIDE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME FOR PREVENTING OR TREATING CANCER DISEASE 재단법인 대구경북첨단의료산업진흥재단 2023-10-05 WO disclosed
EP-1660460-A1 QUINOXALINE DERIVATIVES AS NEUTROPHIL ELASTASE INHIBITORS AND THEIR USE AstraZeneca AB (SE) 2006-05-31 EP disclosed
WO-2005021512-A1 QUINOXALINE DERIVATIVES AS NEUTROPHIL ELASTASE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2005-03-10 WO 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-20260124198-A1 ANTIVIRAL PYRAZOLOPYRIDINONE COMPOUNDS ZC3HAV1, CCR1, CCR6 NOS3 2951/4885NOS1 3860/4885NOS2 4513/4885
US-20250214947-A1 3,4-DIHYDROQUINOXALINE-2-CARBOXIMIDE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME FOR PREVENTING OR TREATING CANCER DISEASE HDAC8, HDAC1, HDAC5 NOS3 2148/4885NOS1 2934/4885NOS2 2987/4885

“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.