SCHEMBL6808913

SCHEMBL6808913

CCC(C)OC(=O)C(C(=O)O)c1ccncc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
AGTR1 P30556 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 3/20 0.35
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
HCAR3 P49019 1/20 0.34
PKM P14618 1/20 0.34
XDH P47989 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 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
SCHEMBL3330500 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL3330505 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL5185989 0.79 PKM (0.40) ALDH1A1KDM4EKMT2AMAPTHCAR3
SCHEMBL5894013 0.79 ALDH1A1 (0.50) ALDH1A1AGTR1KDM4EMEN1KMT2A
SCHEMBL2343250 0.78 ALDH1A1 (0.38) ALDH1A1KMT2AHTTCYP1A2
SCHEMBL492480 0.77 CYP1A2 (0.47) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL492479 0.77 CYP1A2 (0.47) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL4035324 0.77 ALDH1A1 (0.60) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL4715562 0.77 L3MBTL1 (0.41) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL16485936 0.76 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AMAPTGAA

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-6815439-B2 PYRROLO(2,3-B)PYRIDINE DERIVATIVES AS CYCLIN-DEPENDENT KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2004-11-09 US disclosed
US-20040072836-A1 Substituted aza-oxindole derivatives HARRIS PHILIP ANTHONY (US) 2004-04-15 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-20040072836-A1 Substituted aza-oxindole derivatives CCNI, AZI2, CDKN1A ALDH1A1 1625/4885AGTR1 1670/4885KDM4E 1621/4885

“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.