SCHEMBL2400000

SCHEMBL2400000

CNC(=O)C(C)c1cc(O)no1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 13/20 0.37
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 6/20 0.35
RAB9A P51151 8/20 0.34
NPC1 O15118 7/20 0.34
TP53 P04637 4/20 0.34
CYP1A2 P05177 3/20 0.34
MAPK1 P28482 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 2/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 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
SCHEMBL5285479 0.79 SMN1; SMN2 (0.37) SMN1; SMN2KMT2AALDH1A1RAB9ANPC1
SCHEMBL11363709 0.78 SMN1; SMN2 (0.33) SMN1; SMN2KMT2AALDH1A1RAB9ANPC1
SCHEMBL2402694 0.78 EPHX1 (0.33) SMN1; SMN2KMT2AALDH1A1RAB9ANPC1
SCHEMBL26328058 0.73 RAB9A (0.41) SMN1; SMN2ALDH1A1RAB9ANPC1TP53
SCHEMBL24115347 0.71 ALDH1A1 (0.32) SMN1; SMN2KMT2AALDH1A1RAB9ANPC1
SCHEMBL22911838 0.70
SCHEMBL25601617 0.69 ALOX15 (0.33) SMN1; SMN2KMT2AALDH1A1RAB9ANPC1
SCHEMBL20231997 0.69 AKR1C3 (0.36) SMN1; SMN2KMT2AALDH1A1RAB9ANPC1
SCHEMBL20294973 0.69 KMT2A (0.37) SMN1; SMN2KMT2AALDH1A1RAB9ANPC1
SCHEMBL31060521 0.69

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC SMN1; SMN2 3353/4885KMT2A 3648/4885ALDH1A1 623/4885

“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.