SCHEMBL5123863

SCHEMBL5123863

Cc1nc(NC(CO)Cc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
BDKRB1 P46663 1/20 0.39
CASR P41180 2/20 0.39
LMNA P02545 2/20 0.38
JAK3 P52333 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
MME P08473 1/20 0.38
CPA1 P15085 3/20 0.37
ALDH1A1 P00352 2/20 0.37
ENPP2 Q13822 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SIRT5 Q9NXA8 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
SCHEMBL5123860 1.00 MAPT (0.45) MAPTKDM4EMEN1KMT2ACYP3A4
SCHEMBL5122458 0.88 ENPP2 (0.48) MAPTMEN1KMT2ACYP3A4MAPK1
SCHEMBL5130461 0.85 ALDH1A1 (0.41) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL5130459 0.85 ALDH1A1 (0.41) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL5127407 0.85 MAPT (0.36) MAPTMEN1KMT2ACYP3A4BDKRB1
SCHEMBL5972031 0.84 NPC1 (0.43) MAPTMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL5126008 0.84 MAPT (0.51) MAPTMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL5126018 0.84 MAPT (0.51) MAPTMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL5130355 0.82 HPGD (0.40) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL5130347 0.82 HPGD (0.40) MAPTMEN1KMT2ALMNAALDH1A1

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 2 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

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 3258/4885KDM4E 4211/4885MEN1 1458/4885

“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.