SCHEMBL29613754

SCHEMBL29613754

CC(C)(C)OC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.52
CACNA1H O95180 1/20 0.49
CACNA1B Q00975 1/20 0.49
CACNA1C Q13936 1/20 0.49
KCNJ1 P48048 2/20 0.46
KDM4E B2RXH2 3/20 0.45
BRD4 O60885 1/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
BCHE P06276 1/20 0.43
THRB P10828 1/20 0.42
NPC1 O15118 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
RIPK1 Q13546 1/20 0.41
ALOX5 P09917 1/20 0.40

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
SCHEMBL15584613 0.91 KCNJ1 (0.57) MAPTCACNA1HCACNA1BCACNA1CKCNJ1
SCHEMBL30313258 0.83 CACNA1H (0.54) MAPTCACNA1HCACNA1BCACNA1CBRD4
SCHEMBL22775612 0.83 MAPT (0.59) MAPTKCNJ1KDM4EALDH1A1LMNA
SCHEMBL29613729 0.82 CACNA1H (0.53) MAPTCACNA1HCACNA1BCACNA1CBRD4
SCHEMBL22013237 0.82 CACNA1H (0.53) CACNA1HCACNA1BCACNA1CL3MBTL1BCHE
SCHEMBL4149629 0.82 CACNA1H (0.53) CACNA1HCACNA1BCACNA1CBRD4BCHE
SCHEMBL22775707 0.82 CACNA1H (0.53) MAPTCACNA1HCACNA1BCACNA1CBRD4
SCHEMBL28289712 0.81 KDM4E (0.51) MAPTKCNJ1KDM4EALDH1A1LMNA
SCHEMBL24507620 0.81 CACNA1H (0.52) MAPTCACNA1HCACNA1BCACNA1CKDM4E
SCHEMBL38661238 0.81 CACNA1H (0.52) MAPTCACNA1HCACNA1BCACNA1CKDM4E

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 3 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

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 MAPT 1158/4885CACNA1H 109/4885CACNA1B 80/4885
US-20220098167-A1 COMPOUNDS FOR TREATING RESPIRATORY DISEASE TMEM109, SLC16A1, CFTR MAPT 1182/4885CACNA1H 237/4885CACNA1B 207/4885

“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.