SCHEMBL7207830

SCHEMBL7207830

C=Cc1cccc2c1Nc1ccccc1N2CC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
ALDH1A1 P00352 7/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
TSPO P30536 1/20 0.33
ALPL P05186 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GFER P55789 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
EPHX2 P34913 1/20 0.30

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
SCHEMBL2287889 0.77 GAA (0.48) GAAALDH1A1KDM4EMAPTHTT
SCHEMBL8376596 0.75 DRD2 (0.39) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL2292533 0.73 TSPO (0.33) GAAMEN1KMT2ATSPOALPL
SCHEMBL2292527 0.72 ALOX5 (0.48) GAAALDH1A1KDM4EMEN1KMT2A
Sulfuric Acid SCHEMBL29282027 0.71 GAA (0.36) GAAALDH1A1MAPTTP53MEN1
SCHEMBL10102354 0.71 GAA (0.40) GAAALDH1A1KDM4EMAPTTP53
SCHEMBL2291992 0.70 AKR1B1 (0.39) GAAKDM4EMEN1KMT2ATSPO
SCHEMBL2291776 0.70 MAPK1 (0.41) GAAALDH1A1KDM4EMAPTHTT
Sulfuric Acid SCHEMBL10339576 0.69 ALDH1A1 (0.38) GAAALDH1A1KDM4EMAPTMEN1
Sulfuric Acid SCHEMBL31514469 0.69 ALDH1A1 (0.38) GAAALDH1A1KDM4EMAPTMEN1

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-20030031676-A1 Conjugate compounds for treating atheroma and other diseases PHARMACYCLICS, INC. 2003-02-13 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-20030031676-A1 Conjugate compounds for treating atheroma and other diseases NQO1, AKR7A2, CYP46A1 GAA 277/4885ALDH1A1 176/4885KDM4E 4484/4885

“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.