SCHEMBL5126008

SCHEMBL5126008

CC[C@@H](CO)Nc1ccc([N+](=O)[O-])c(C)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
HCAR3 P49019 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
FYN P06241 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CDK1 P06493 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
DYRK1A Q13627 4/20 0.36
DYRK1B Q9Y463 4/20 0.36
DYRK2 Q92630 3/20 0.35

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
SCHEMBL5126018 1.00 MAPT (0.51) MAPTPOLBALDH1A1NPC1GAA
SCHEMBL5126001 0.86 MAPT (0.39) MAPTPOLBALDH1A1NPC1HCAR3
SCHEMBL5123863 0.84 MAPT (0.45) MAPTALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL5123860 0.84 MAPT (0.45) MAPTALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL5120760 0.83 MAPT (0.39) MAPTPOLBALDH1A1GAAHCAR3
SCHEMBL5120767 0.83 MAPT (0.39) MAPTPOLBALDH1A1GAAHCAR3
SCHEMBL5122458 0.82 ENPP2 (0.48) MAPTPOLBALDH1A1NPC1GAA
SCHEMBL5120853 0.82 MAPT (0.36) MAPTPOLBNPC1GAASMN1; SMN2
SCHEMBL5130355 0.80 HPGD (0.40) MAPTPOLBALDH1A1GAASMN1; SMN2
SCHEMBL5130347 0.80 HPGD (0.40) MAPTPOLBALDH1A1GAASMN1; SMN2

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-20080058383-A1 Androgen Receptor Modulators KARO BIO AB (SE) 2008-03-06 US claimed
US-20080058383-A1 Androgen Receptor Modulators KARO BIO AB (SE) 2008-03-06 US disclosed
US-20080058383-A1 Androgen Receptor Modulators KARO BIO AB (SE) 2008-03-06 US disclosed
US-20080058383-A1 Androgen Receptor Modulators KARO BIO AB (SE) 2008-03-06 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-20080058383-A1 Androgen Receptor Modulators NR5A1, ESRRA, AR MAPT 3258/4885POLB 1406/4885ALDH1A1 567/4885

“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.