SCHEMBL5120760

SCHEMBL5120760

Cc1nc(N[C@@H](C)CO)ccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
ALDH1A1 P00352 5/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
BRD4 O60885 2/20 0.38
CTSB P07858 1/20 0.38
CTSH P09668 1/20 0.38
HCAR3 P49019 3/20 0.36
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CXCR2 P25025 1/20 0.34
NTRK1 P04629 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL5120767 1.00 MAPT (0.39) MAPTALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL5126018 0.83 MAPT (0.51) MAPTALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL5126008 0.83 MAPT (0.51) MAPTALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL539558 0.83 BRD4 (0.50) MAPTALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL5972031 0.81 NPC1 (0.43) MAPTALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL5130420 0.80 GSR (0.40) MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL5126036 0.80 GSR (0.40) MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL5126033 0.80 GSR (0.40) MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL5120739 0.80 ALDH1A1 (0.47) MAPTALDH1A1HTTBRD4CTSB
SCHEMBL5120740 0.80 ALDH1A1 (0.47) MAPTALDH1A1HTTBRD4CTSB

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 6 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
EP-1685090-A1 ANDROGEN RECEPTOR MODULATORS KARO BIO AB (SE) 2006-08-02 EP disclosed
WO-2005042464-A1 ANDROGEN RECEPTOR MODULATORS KARO BIO AB (SE) 2005-05-12 WO 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 3258/4885ALDH1A1 567/4885L3MBTL1 4412/4885

“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.