SCHEMBL3005458

SCHEMBL3005458

N#CC1=C(N)OC2=C(C(=O)OC2)C1c1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
ALDH1A1 P00352 6/20 0.49
TSHR P16473 2/20 0.49
GRIA3 P42263 1/20 0.44
GRIA4 P48058 1/20 0.44
MAPT P10636 3/20 0.43
HTT P42858 2/20 0.43
MET P08581 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 3/20 0.41
ALOX15 P16050 2/20 0.40
CASP1 P29466 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL4083094 0.81 GAA (0.66) GAAALDH1A1TSHRGRIA3GRIA4
SCHEMBL3129599 0.77 ALDH1A1 (0.72) GAAALDH1A1TSHRGRIA3GRIA4
SCHEMBL28669991 0.76 ALDH1A1 (0.79) ALDH1A1TSHRGRIA3GRIA4MAPT
SCHEMBL28162015 0.68 GAA (1.00) GAAALDH1A1TSHRMAPTHTT
SCHEMBL28325540 0.66 ALDH1A1 (0.77) ALDH1A1TSHRGRIA3GRIA4MAPT
SCHEMBL21993260 0.66 MAPT (0.77) GAAALDH1A1TSHRMAPTHTT
SCHEMBL8543744 0.66 ALDH1A1 (0.82) GAAALDH1A1TSHRMAPTHTT
SCHEMBL6705746 0.66 ALDH1A1 (1.00) GAAALDH1A1TSHRGRIA3GRIA4
SCHEMBL18735895 0.66 GAA (0.47) GAAALDH1A1TSHRMAPTHTT
SCHEMBL7101255 0.65 ABCC9 (0.66)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045428-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2015-06-02 US disclosed
US-8716319-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-05-06 US disclosed
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-12-05 US disclosed
US-20100197684-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-08-05 US disclosed
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. 2009-07-16 US disclosed
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2009-01-08 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 (4 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-20100197684-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R GAA 1171/4885ALDH1A1 274/4885TSHR 1570/4885
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R GAA 1171/4885ALDH1A1 274/4885TSHR 1570/4885
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R GAA 1171/4885ALDH1A1 274/4885TSHR 1570/4885
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R GAA 1171/4885ALDH1A1 274/4885TSHR 1570/4885

“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.