SCHEMBL7201343

SCHEMBL7201343

NC1(C(=O)O)NCCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
RECQL P46063 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39
BLM P54132 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC9 Q9UKV0 1/20 0.38
MEN1 O00255 3/20 0.38
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KIF11 P52732 1/20 0.37
HTR2A P28223 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36

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
SCHEMBL28245955 0.86 TSHR (0.38) ALDH1A1MAPTRECQLTDP1HDAC9
SCHEMBL28008400 0.80 HDAC9 (0.41) ALDH1A1MAPTRECQLTDP1KDM4E
SCHEMBL27852609 0.79 ALDH1A1 (0.41) ALDH1A1MAPTRECQLTDP1KDM4E
SCHEMBL28246686 0.79 KDM4E (0.38) ALDH1A1MAPTRECQLTDP1KDM4E
SCHEMBL28312964 0.78 TDP1 (0.40) ALDH1A1MAPTRECQLTDP1KDM4E
SCHEMBL9845298 0.77 ALDH1A1 (0.60) ALDH1A1MAPTRECQLTDP1KDM4E
SCHEMBL27969858 0.77 MEN1 (0.40) ALDH1A1MAPTRECQLTDP1KDM4E
SCHEMBL28008899 0.77 ALDH1A1 (0.39) ALDH1A1MAPTRECQLTDP1KDM4E
Hydrochloric Acid SCHEMBL8017746 0.75 ALDH1A1 (0.59) ALDH1A1MAPTRECQLTDP1KDM4E
SCHEMBL27956103 0.75 HDAC9 (0.43) ALDH1A1MAPTRECQLTDP1KDM4E

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-6608193-B2 Forming an intermediate by reacting the support-bound amino-substituted-tetrahydroisoquinoline compound with a reagent; and cyclizatively cleaving support-bound amino-substituted-tetrahydroisoquinoline compound THE PROCTER & GAMBLE COMPANY 2003-08-19 US disclosed
US-6566524-B2 Providing amino-substituted-tetrahydroisoquinoline-carboxylate attached to a solid support; reacting with sulfonyl chloride compound; cleaving intermediate from solid support to form an amino-tetrahydroisoquinoline-sulfonamide hydroxamic acid THE PROCTER & GAMBLE CO. 2003-05-20 US disclosed
US-20020077480-A1 Methods for synthesis of amino-tetrahydroisoquinoline ring compounds PROCTER & GAMBLE COMPANY, THE 2002-06-20 US disclosed
US-20020058815-A1 Methods for synthesis of amino-tertahydroisoquinoline-sulfonamide hydroxamic acids PROCTER & GAMBLE COMANY, THE 2002-05-16 US disclosed
US-20020055637-A1 Methods for synthesis of amino-tetrahydroisoquinoline-carboxylic acids PROCTER & GAMBLE COMPANY, THE 2002-05-09 US disclosed
US-20020055637-A1 Methods for synthesis of amino-tetrahydroisoquinoline-carboxylic acids PROCTER & GAMBLE COMPANY, THE 2002-05-09 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 (3 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-20020055637-A1 Methods for synthesis of amino-tetrahydroisoquinoline-carboxylic acids DAO, DDC, ASNS ALDH1A1 1023/4885MAPT 2226/4885RECQL 331/4885
US-20020077480-A1 Methods for synthesis of amino-tetrahydroisoquinoline ring compounds ASNS, QPCT, DAO ALDH1A1 3610/4885MAPT 1453/4885RECQL 240/4885
US-20020058815-A1 Methods for synthesis of amino-tertahydroisoquinoline-sulfonamide hydroxamic acids ASNS, GLUL, STS ALDH1A1 2577/4885MAPT 4493/4885RECQL 1011/4885

“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.