SCHEMBL23850271

SCHEMBL23850271

Cc1cc(N2CCCCC2)c([N+](=O)[O-])cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.51
ALDH1A1 P00352 11/20 0.48
MAPT P10636 9/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP3A4 P08684 1/20 0.48
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPK1 P28482 2/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.43
HSP90AA1 P07900 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL23850866 0.87 MAPT (0.53) GAAALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL21378295 0.79 ALDH1A1 (0.54) GAAALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL23850805 0.79 GAA (0.63) GAAALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL29036633 0.79 ALDH1A1 (0.40) GAAALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL23850534 0.78 ALDH1A1 (0.42) GAAALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL44889 0.77 HPGD (0.58) ALDH1A1MAPTCYP1A2CYP2C19CYP2C9
SCHEMBL1771630 0.76 ALDH1A1 (0.40) GAAALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL5823781 0.75 CYP1A2 (0.48) ALDH1A1MAPTCYP1A2CYP2C19CYP2C9
SCHEMBL25983923 0.75 ESPL1 (0.43) GAAALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL23850536 0.73 MAPK1 (0.57) GAAALDH1A1MAPTCYP1A2CYP2C19

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-12485169-B2 Compounds Grey Wolf Therapeutics Limited (GB) 2025-12-02 US disclosed
US-20230064417-A1 COMPOUNDS Grey Wolf Therapeutics Limited (GB) 2023-03-02 US disclosed
EP-3883650-A1 COMPOUNDS Grey Wolf Therapeutics Limited (GB) 2021-09-29 EP disclosed
CN-113056305-A Compound (I) 格雷沃尔夫治疗有限公司 2021-06-29 CN 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-20230064417-A1 COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRH4, CBR3 GAA 3530/4885ALDH1A1 2613/4885MAPT 4705/4885
US-12485169-B2 Compounds SLC10A1, VHL, CFTR GAA 96/4885ALDH1A1 276/4885MAPT 302/4885

“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.