SCHEMBL31663746

SCHEMBL31663746

CC(C)(C)OC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.55
PKM P14618 2/20 0.55
KCNMA1 Q12791 3/20 0.53
TRPV1 Q8NER1 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 2/20 0.48
MAPK1 P28482 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 4/20 0.47
MAPT P10636 3/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
RECQL P46063 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL550964 1.00 APP (0.55) APPPKMKCNMA1TRPV1SMN1; SMN2
SCHEMBL5868880 0.90 ABCB1 (0.47) APPPKMKCNMA1TRPV1ALDH1A1
SCHEMBL6674647 0.89 L3MBTL1 (0.54) PKMKCNMA1SMN1; SMN2MAPK1MEN1
SCHEMBL5868981 0.87 ALDH1A1 (0.46) APPPKMKCNMA1TRPV1MAPK1
SCHEMBL8231247 0.86 ALDH1A1 (0.58) KCNMA1SMN1; SMN2POLBMAPK1NPC1
SCHEMBL31365089 0.86 ALDH1A1 (0.58) KCNMA1SMN1; SMN2POLBMAPK1NPC1
SCHEMBL15160073 0.85 HTT (0.53) PKMSMN1; SMN2POLBMAPK1NPC1
SCHEMBL8469198 0.85 KCNMA1 (0.50) KCNMA1SMN1; SMN2MAPK1MEN1NPC1
SCHEMBL975856 0.84 ABCB1 (0.53) PKMMAPK1MEN1NPC1RAB9A
SCHEMBL5557413 0.84 NPC1 (0.48) KCNMA1SMN1; SMN2MAPK1MEN1NPC1

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-20250241926-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2025-07-31 US disclosed
EP-4419207-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LTD (GB) 2025-07-23 EP 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-20250241926-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER NQO1, VHL, SDHA APP 3359/4885PKM 937/4885KCNMA1 4778/4885

“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.