SCHEMBL27039744

SCHEMBL27039744

CC(Nc1cc(Cl)ncc1[N+](=O)[O-])C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 4/20 0.38
HCAR3 P49019 3/20 0.36
HTT P42858 1/20 0.36
SLC9A1 P19634 1/20 0.34
PIN1 Q13526 2/20 0.34
AHR P35869 1/20 0.34
KCNMA1 Q12791 1/20 0.34
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33

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
SCHEMBL31661104 1.00 ALDH1A1 (0.41) ALDH1A1MAPTHCAR3HTTSLC9A1
SCHEMBL27039743 1.00 ALDH1A1 (0.41) ALDH1A1MAPTHCAR3HTTSLC9A1
SCHEMBL15740451 0.84 MAPT (0.40) ALDH1A1MAPTHCAR3HTTGAA
SCHEMBL15740561 0.83 MAPT (0.46) ALDH1A1MAPTHCAR3HTTPIN1
SCHEMBL21680695 0.79 SCN9A (0.35)
SCHEMBL21680693 0.79 SCN9A (0.35)
SCHEMBL30669758 0.79 SCN9A (0.35)
SCHEMBL15740730 0.78 ALDH1A1 (0.50) ALDH1A1MAPTHCAR3HTTAHR
SCHEMBL17374001 0.77 SYK (0.38)
SCHEMBL15740820 0.77 ALDH1A1 (0.36) ALDH1A1MAPTAHRGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025151602-A1 HETEROARYL COMPOUNDS AS LIGAND DIRECTED DEGRADERS OF IRAK4 BRISTOL-MYERS SQUIBB COMPANY (US) 2025-07-17 WO disclosed
WO-2025151728-A1 LIGAND DIRECTED DEGRADER OF IRAK4 BRISTOL-MYERS SQUIBB COMPANY (US) 2025-07-17 WO disclosed
EP-4558495-A1 HETEROARYL COMPOUNDS AS LIGAND DIRECTED DEGRADERS OF IRAK4 Bristol-Myers Squibb Company (US) 2025-05-28 EP disclosed
US-20240109881-A1 Heteroaryl Compounds as Ligand Directed Degraders of IRAK4 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-04-04 US disclosed
WO-2024020084-A1 HETEROARYL COMPOUNDS AS LIGAND DIRECTED DEGRADERS OF IRAK4 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-25 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 (1 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-20240109881-A1 Heteroaryl Compounds as Ligand Directed Degraders of IRAK4 IRAK4, IRAK2, IRAK3 ALDH1A1 3457/4885MAPT 1801/4885HCAR3 690/4885

“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.