SCHEMBL5120739

SCHEMBL5120739

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MAPT P10636 4/20 0.46
HTT P42858 1/20 0.43
HCAR3 P49019 3/20 0.39
BRD4 O60885 3/20 0.38
TSHR P16473 1/20 0.38
CTSB P07858 1/20 0.38
CTSH P09668 1/20 0.38
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL5120740 1.00 ALDH1A1 (0.47) ALDH1A1MAPTHTTHCAR3BRD4
SCHEMBL539558 0.83 BRD4 (0.50) ALDH1A1MAPTHTTHCAR3BRD4
SCHEMBL5971966 0.81 ALDH1A1 (0.55) ALDH1A1MAPTHTTHCAR3BRD4
SCHEMBL5971968 0.81 ALDH1A1 (0.55) ALDH1A1MAPTHTTHCAR3BRD4
SCHEMBL5120767 0.80 MAPT (0.39) ALDH1A1MAPTHTTHCAR3BRD4
SCHEMBL5120760 0.80 MAPT (0.39) ALDH1A1MAPTHTTHCAR3BRD4
SCHEMBL2018202 0.76 CYP1A2 (0.53) ALDH1A1MAPTHTTCTSBCTSH
SCHEMBL5972031 0.76 NPC1 (0.43) ALDH1A1MAPTBRD4POLB
SCHEMBL5126018 0.75 MAPT (0.51) ALDH1A1MAPTHCAR3POLB
SCHEMBL5126008 0.75 MAPT (0.51) ALDH1A1MAPTHCAR3POLB

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 ALDH1A1 567/4885MAPT 3258/4885HTT 4402/4885

“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.