SCHEMBL25855694

SCHEMBL25855694

O=[N+]([O-])c1ccc(N2C[C@H]3CC[C@@H]2C3)nc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
ALDH1A1 P00352 3/20 0.49
LMNA P02545 1/20 0.49
ALOX12 P18054 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
CRBN Q96SW2 3/20 0.42
MAPK1 P28482 1/20 0.41
SGPL1 O95470 1/20 0.41
MAP3K12 Q12852 1/20 0.40
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 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
SCHEMBL25196170 0.79 MEN1 (0.46) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL29390866 0.76 ALDH1A1 (0.48) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL1108634 0.76 MAP3K12 (0.44) L3MBTL1MAP3K12
SCHEMBL25855693 0.76 MAP3K12 (0.50) MAP3K12
SCHEMBL21861591 0.76 MAP3K12 (0.44) ALDH1A1POLBMAP3K12MCHR1
SCHEMBL1116773 0.74 MAPT (0.59) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL1021398 0.74 MAPT (0.52) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL3242803 0.74 MAPT (0.56) MAPTALDH1A1LMNAALOX12NPSR1
SCHEMBL9923321 0.74 MAPT (0.63) MAPTALDH1A1LMNAALOX12NPSR1
Hydrochloric Acid SCHEMBL2096985 0.73 MAPT (0.51) MAPTALDH1A1LMNAALOX12NPSR1

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 MAPT 3151/4885ALDH1A1 2713/4885LMNA 1394/4885

“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.