SCHEMBL22775634

SCHEMBL22775634

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.38
GAA P10253 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
METAP1 P53582 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
ALOX5 P09917 1/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35

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
SCHEMBL4044951 0.86 ATR (0.39) PRMT1AAK1METAP1SMN1; SMN2MAPT
SCHEMBL15511586 0.81 AAK1 (0.39) AAK1METAP1NPC1RAB9A
SCHEMBL31441184 0.80 AAK1 (0.43) AAK1METAP1
SCHEMBL30118370 0.79 SMN1; SMN2 (0.45) AAK1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL13833547 0.79 SMN1; SMN2 (0.45) AAK1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL23483654 0.79 CYP17A1 (0.42) AAK1METAP1
SCHEMBL21262159 0.79 ATR (0.41) AAK1METAP1
SCHEMBL29918800 0.79 CYP17A1 (0.42) AAK1METAP1
SCHEMBL12341867 0.79 HTT (0.41) PRMT1GAASMN1; SMN2MAPTNPC1
SCHEMBL17336445 0.78 AAK1 (0.44) AAK1METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12552770-B2 Compounds for treating respiratory disease TMEM16A LIMITED (GB) 2026-02-17 US disclosed
EP-3983389-A1 COMPOUNDS FOR TREATING RESPIRATORY DISEASE TMEM16A LIMITED (GB) 2022-04-20 EP disclosed
US-20220098167-A1 COMPOUNDS FOR TREATING RESPIRATORY DISEASE TMEM16A LTD (GB) 2022-03-31 US disclosed
WO-2020249957-A1 COMPOUNDS FOR TREATING RESPIRATORY DISEASE Enterprise Therapeutics Limited (GB) 2020-12-17 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-12552770-B2 Compounds for treating respiratory disease TMEM109, SCN1A, SLC16A1 PRMT1 1020/4885GAA 575/4885AAK1 1371/4885
US-20220098167-A1 COMPOUNDS FOR TREATING RESPIRATORY DISEASE TMEM109, SLC16A1, CFTR PRMT1 2014/4885GAA 432/4885AAK1 3322/4885

“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.