SCHEMBL6503776

SCHEMBL6503776

O=C(O)c1[nH]c(O)nc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.50
CYP1A2 P05177 1/20 0.50
MAPK1 P28482 1/20 0.50
CASP1 P29466 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 8/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.44
HPGD P15428 5/20 0.44
ALDH1A1 P00352 4/20 0.44
GAA P10253 3/20 0.44
GLA P06280 2/20 0.44
KMT2A Q03164 2/20 0.44
DHODH Q02127 2/20 0.44
PDE10A Q9Y233 1/20 0.44
MGAM O43451 1/20 0.42
RNASEH1 O60930 1/20 0.42
ERCC1 P07992 1/20 0.42
FEN1 P39748 1/20 0.42
ERCC4 Q92889 1/20 0.42

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
SCHEMBL27653935 0.89 CYP1A2 (0.42) PIN1CYP1A2MAPK1CASP1CYP2C19
SCHEMBL5762937 0.80 PIN1 (0.49) PIN1CYP1A2MAPK1CASP1CYP2C19
SCHEMBL5762947 0.80 KDM4E (0.62) PIN1CYP1A2MAPK1CASP1CYP2C19
SCHEMBL4879884 0.77 KDM4E (0.59) PIN1CYP1A2MAPK1CASP1CYP2C19
SCHEMBL5820825 0.76 KDM4E (0.66) PIN1CYP1A2MAPK1CASP1CYP2C19
SCHEMBL6492450 0.76 TAAR1 (0.62) PIN1CYP1A2MAPK1CASP1CYP2C19
SCHEMBL4802255 0.76 SMN1; SMN2 (0.49) PIN1CYP1A2MAPK1CASP1CYP2C19
SCHEMBL5759689 0.75 ALDH1A1 (0.69) PIN1CYP1A2MAPK1CASP1CYP2C19
SCHEMBL4504351 0.74 MAPK13 (0.59) PIN1CYP1A2MAPK1CASP1CYP2C19
SCHEMBL27653936 0.73 KDM4E (0.40) PIN1CYP1A2MAPK1CASP1CYP2C19

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-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 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-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AHR, ARNT, MYC PIN1 735/4885CYP1A2 46/4885MAPK1 4390/4885

“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.