SCHEMBL5118764

SCHEMBL5118764

CCC(CO)Nc1cc(C)c([N+](=O)[O-])c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 7/20 0.39
POLB P06746 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HCAR3 P49019 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 2/20 0.36
GAA P10253 2/20 0.36
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.33
CDK1 P06493 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
SCHEMBL5118758 1.00 SMN1; SMN2 (0.42) SMN1; SMN2MAPTALDH1A1POLBKMT2A
SCHEMBL5126321 0.81 ALDH1A1 (0.50) SMN1; SMN2MAPTALDH1A1POLBKMT2A
SCHEMBL5126331 0.81 ALDH1A1 (0.50) SMN1; SMN2MAPTALDH1A1POLBKMT2A
SCHEMBL6570551 0.75 MAPT (0.53) SMN1; SMN2MAPTALDH1A1POLBKMT2A
SCHEMBL6671268 0.75 MAPT (0.53) SMN1; SMN2MAPTALDH1A1POLBKMT2A
SCHEMBL3859488 0.73 ALDH1A1 (0.54) SMN1; SMN2MAPTALDH1A1POLBKMT2A
SCHEMBL8318543 0.72 EGFR (0.48) SMN1; SMN2MAPTALDH1A1POLBKMT2A
SCHEMBL5843957 0.72 MAPT (0.46) SMN1; SMN2MAPTALDH1A1POLBKMT2A
SCHEMBL15866399 0.71 MAPT (0.47) SMN1; SMN2MAPTALDH1A1POLBKMT2A
SCHEMBL5095496 0.70 MAPT (0.41) SMN1; SMN2MAPTALDH1A1POLBKMT2A

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 SMN1; SMN2 3320/4885MAPT 3258/4885ALDH1A1 567/4885

“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.