SCHEMBL5120853

SCHEMBL5120853

Cc1nc(NC(CO)CC2CCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NTRK1 P04629 1/20 0.34
GSTP1 P09211 1/20 0.33
GSTM2 P28161 1/20 0.33
GUCY1B2 O75343 1/20 0.33
GUCY1A2 P33402 1/20 0.33
GUCY1A1 Q02108 1/20 0.33
GUCY1B1 Q02153 1/20 0.33
KMT2A Q03164 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 2/20 0.33
BRD4 O60885 1/20 0.33
TXNRD1 Q16881 3/20 0.32
POLB P06746 1/20 0.32
GSR P00390 1/20 0.32
GAA P10253 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL5126008 0.82 MAPT (0.51) MAPTSMN1; SMN2KMT2ANPC1MEN1
SCHEMBL5126018 0.82 MAPT (0.51) MAPTSMN1; SMN2KMT2ANPC1MEN1
SCHEMBL5126001 0.77 MAPT (0.39) MAPTSMN1; SMN2NPC1TXNRD1POLB
SCHEMBL5123860 0.77 MAPT (0.45) MAPTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL5123863 0.77 MAPT (0.45) MAPTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL5120767 0.76 MAPT (0.39) MAPTSMN1; SMN2NTRK1BRD4POLB
SCHEMBL5120760 0.76 MAPT (0.39) MAPTSMN1; SMN2NTRK1BRD4POLB
SCHEMBL5127407 0.76 MAPT (0.36) MAPTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL5122458 0.75 ENPP2 (0.48) MAPTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL539558 0.74 BRD4 (0.50) MAPTSMN1; SMN2NTRK1KMT2AMEN1

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 5 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 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 3258/4885SMN1; SMN2 3320/4885NTRK1 1265/4885

“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.