SCHEMBL5126331

SCHEMBL5126331

CCC(CO)Nc1ccc([N+](=O)[O-])c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPT P10636 4/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
RAB9A P51151 4/20 0.47
HCAR3 P49019 2/20 0.44
TSHR P16473 1/20 0.43
NPC1 O15118 4/20 0.43
POLB P06746 3/20 0.43
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 2/20 0.39

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
SCHEMBL5126321 1.00 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL3859488 0.93 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL8318543 0.83 EGFR (0.48) ALDH1A1MAPTMEN1KMT2AHCAR3
SCHEMBL5131744 0.82 AR (0.57) ALDH1A1MAPTTSHRSMN1; SMN2CYP1A2
SCHEMBL5131746 0.82 AR (0.57) ALDH1A1MAPTTSHRSMN1; SMN2CYP1A2
SCHEMBL5118764 0.81 SMN1; SMN2 (0.42) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL5118758 0.81 SMN1; SMN2 (0.42) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL2849044 0.78 ALDH1A1 (0.51) ALDH1A1MAPTKMT2ARAB9AHCAR3
SCHEMBL6570551 0.78 MAPT (0.53) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL6671268 0.78 MAPT (0.53) ALDH1A1MAPTMEN1KMT2APOLB

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 ALDH1A1 567/4885MAPT 3258/4885MEN1 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.