SCHEMBL4565092

SCHEMBL4565092

CCN(C)c1c(C(=O)O)cccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
GLA P06280 1/20 0.44
HCAR3 P49019 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
FBP1 P09467 1/20 0.42
CTSD P07339 1/20 0.42
DNA2 P51530 1/20 0.41
CASP6 P55212 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
GPR35 Q9HC97 1/20 0.40

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
SCHEMBL6679988 0.84 TSHR (0.63) TSHRTDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL1549063 0.84 TSHR (0.52) TSHRTDP1L3MBTL1ALDH1A1KDM4E
N,N-Dimethylethanaminium SCHEMBL3496715 0.79 TSHR (0.56) TSHRTDP1L3MBTL1ALDH1A1KDM4E
N,N-Dimethylethanaminium SCHEMBL27698286 0.79 TSHR (0.56) TSHRTDP1L3MBTL1ALDH1A1KDM4E
N,N-Dimethylethanaminium SCHEMBL15475254 0.79 TSHR (0.56) TSHRTDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL17746609 0.77 TSHR (0.57) TSHRTDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL3495423 0.77 TSHR (0.56) TSHRTDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL3495421 0.77 TSHR (0.56) TSHRTDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL28146762 0.76 ALDH1A1 (0.50) TSHRTDP1ALDH1A1KDM4EKMT2A
Trimethylammonium SCHEMBL28659606 0.76 TSHR (0.64) TSHRTDP1L3MBTL1ALDH1A1KDM4E

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-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors CORBETT JEFFREY WAYNE 2009-10-29 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-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB TSHR 2108/4885TDP1 4606/4885L3MBTL1 2534/4885

“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.