SCHEMBL23927070

SCHEMBL23927070

CC(C)c1cc(Oc2ccc([N+](=O)[O-])cc2F)ccc1C#N

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 5/20 0.50
AR P10275 2/20 0.43
SLC22A12 Q96S37 3/20 0.42
PLA2G7 Q13093 1/20 0.41
VCAM1 P19320 1/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
S1PR4 O95977 1/20 0.38
PDE7A Q13946 1/20 0.38
EYA2 O00167 1/20 0.37
ESRRA P11474 1/20 0.37

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
SCHEMBL1646291 0.80 VCAM1 (0.54) VCAM1MAPTALDH1A1MEN1KMT2A
SCHEMBL23926971 0.80 AR (0.47) ARSLC22A12PLA2G7ALDH1A1
SCHEMBL22069751 0.78 HSPB1 (0.63) HSPB1MAPTALDH1A1MEN1KMT2A
SCHEMBL27859313 0.76 HSPB1 (0.82) HSPB1MAPTALDH1A1MEN1KMT2A
SCHEMBL11087204 0.75 HSPB1 (0.66) HSPB1ARSLC22A12PLA2G7VCAM1
SCHEMBL826371 0.75 LMNA (0.48) HSPB1ARSLC22A12PLA2G7VCAM1
SCHEMBL29525543 0.75 LMNA (0.48) HSPB1ARSLC22A12PLA2G7VCAM1
SCHEMBL1645875 0.74 VCAM1 (0.48) VCAM1MAPTALDH1A1MEN1KMT2A
SCHEMBL30676036 0.73 ESRRA (0.54) ARSLC22A12PLA2G7VCAM1MAPT
SCHEMBL26926649 0.73 ESRRA (0.54) ARSLC22A12PLA2G7VCAM1MAPT

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-20230124087-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS HOFFMANN-LA ROCHE INC. (US) 2023-04-20 US disclosed
EP-4139306-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-La Roche AG (CH) 2023-03-01 EP disclosed
CN-115380032-A KV3 enhancers for the treatment of cognitive disorders 豪夫迈·罗氏有限公司 2022-11-22 CN disclosed
WO-2021214090-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2021-10-28 WO disclosed
EP-3901152-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-La Roche AG (CH) 2021-10-27 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-20230124087-A1 KV3 ENHANCERS FOR THE TREATMENT OF COGNITIVE DISORDERS KCNN3, KCNA4, KCNA3 HSPB1 2043/4885AR 3004/4885SLC22A12 1933/4885

“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.