SCHEMBL22487928

SCHEMBL22487928

CC(C)(C)c1nc2cc(C(=O)O)ccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
TDP1 Q9NUW8 2/20 0.49
HSP90AA1 P07900 1/20 0.49
ESR2 Q92731 1/20 0.49
KIF11 P52732 1/20 0.47
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
THRB P10828 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HCAR3 P49019 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL14336548 0.88 SMN1; SMN2 (0.73) SMN1; SMN2TDP1HSP90AA1ESR2ALDH1A1
SCHEMBL22648631 0.86 SMN1; SMN2 (0.43) SMN1; SMN2TDP1HSP90AA1ESR2KIF11
SCHEMBL31695181 0.85 SMN1; SMN2 (0.51) SMN1; SMN2TDP1HSP90AA1ESR2KIF11
SCHEMBL2923502 0.84 SMN1; SMN2 (0.78) SMN1; SMN2TDP1HSP90AA1ESR2ALDH1A1
SCHEMBL24507619 0.84 KDM4E (0.61) SMN1; SMN2KIF11ALDH1A1L3MBTL1NPC1
SCHEMBL29615654 0.84 KDM4E (0.61) SMN1; SMN2KIF11ALDH1A1L3MBTL1NPC1
SCHEMBL13542738 0.82 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL24602846 0.82 TDP1 (0.47) SMN1; SMN2TDP1HSP90AA1ESR2KIF11
SCHEMBL4741168 0.81 SMN1; SMN2 (0.47) SMN1; SMN2TDP1HSP90AA1ESR2KIF11
SCHEMBL1106071 0.79 TDP1 (0.76) SMN1; SMN2TDP1HSP90AA1ESR2ALDH1A1

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
US-20240132467-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATING RESPIRATORY DISEASE TMEM16A LIMITED (GB) 2024-04-25 US disclosed
EP-4259607-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATING RESPIRATORY DISEASE TMEM16A LIMITED (GB) 2023-10-18 EP disclosed
WO-2022123314-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATING RESPIRATORY DISEASE TMEM16A LIMITED (GB) 2022-06-16 WO disclosed
WO-2022123314-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATING RESPIRATORY DISEASE TMEM16A LIMITED (GB) 2022-06-16 WO disclosed
US-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof D. E. SHAW RESEARCH, LLC 2020-10-01 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-20240132467-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATING RESPIRATORY DISEASE TMEM109, CFTR, TMEM164 SMN1; SMN2 2486/4885TDP1 4577/4885HSP90AA1 1593/4885
US-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof KRAS, NRAS, HRAS SMN1; SMN2 4018/4885TDP1 4172/4885HSP90AA1 2408/4885

“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.