SCHEMBL25855470

SCHEMBL25855470

O=[N+]([O-])c1ccc(N2CCCCC2)cc1[N+](=O)[O-]

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.73
MAPT P10636 15/20 0.73
ALDH1A1 P00352 8/20 0.73
CYP1A2 P05177 3/20 0.73
CYP2C19 P33261 3/20 0.73
L3MBTL1 Q9Y468 2/20 0.73
LMNA P02545 2/20 0.71
CYP2C9 P11712 2/20 0.68
KMT2A Q03164 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.64
NPSR1 Q6W5P4 1/20 0.64
MAPK1 P28482 2/20 0.62
CYP3A4 P08684 1/20 0.61
MEN1 O00255 2/20 0.57

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
SCHEMBL22094933 0.86 MAPT (0.97) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL3536564 0.86 MAPT (0.97) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL29039490 0.85 HPGD (0.63) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL25855484 0.85 HPGD (0.63) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL40059 0.85 HPGD (0.68) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL3837554 0.85 HPGD (1.00) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL3381562 0.85 LMNA (0.97) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL21066338 0.85 MAPT (0.73) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL10651251 0.85 HPGD (0.68) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL12478410 0.85 MAPT (0.73) HPGDMAPTALDH1A1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212158-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2023-07-06 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 (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-20230212158-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 LGALS3, LGALS1, LGALS3BP HPGD 3117/4885MAPT 3151/4885ALDH1A1 2713/4885

“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.