SCHEMBL13405586

SCHEMBL13405586

NCCNC(=O)CCCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.36
▸ SLC6A5 Q9Y345 2/20 0.33
▸ RECQL P46063 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ HDAC3 O15379 2/20 0.31
▸ HDAC4 P56524 2/20 0.31
▸ HDAC1 Q13547 2/20 0.31
▸ HDAC7 Q8WUI4 2/20 0.31
▸ HDAC2 Q92769 2/20 0.31
▸ HDAC10 Q969S8 2/20 0.31
▸ HDAC11 Q96DB2 2/20 0.31
▸ HDAC8 Q9BY41 2/20 0.31
▸ HDAC6 Q9UBN7 2/20 0.31
▸ HDAC9 Q9UKV0 2/20 0.31
▸ HDAC5 Q9UQL6 2/20 0.31

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
SCHEMBL14103627 0.97 SMN1; SMN2 (0.42) SMN1; SMN2HPGDHTTALDH1A1SLC6A5
SCHEMBL13444441 0.91 SMN1; SMN2 (0.45) SMN1; SMN2HPGDHTTALDH1A1SLC6A5
SCHEMBL17767812 0.88 SMN1; SMN2 (0.50) SMN1; SMN2HPGDHTTALDH1A1TSHR
SCHEMBL20999873 0.88 SMN1; SMN2 (0.50) SMN1; SMN2HPGDHTTALDH1A1TSHR
SCHEMBL17767809 0.88 SMN1; SMN2 (0.50) SMN1; SMN2HPGDHTTALDH1A1TSHR
SCHEMBL17168743 0.88 SMN1; SMN2 (0.50) SMN1; SMN2HPGDHTTALDH1A1TSHR
SCHEMBL18827228 0.88 SMN1; SMN2 (0.42) SMN1; SMN2HPGDHTTALDH1A1SLC6A5
SCHEMBL21117960 0.87 SMN1; SMN2 (0.49) SMN1; SMN2HPGDHTTALDH1A1TSHR
SCHEMBL30360564 0.85 SMN1; SMN2 (0.38) SMN1; SMN2HPGDHTTALDH1A1TSHR
SCHEMBL12369355 0.84 SMN1; SMN2 (0.50) SMN1; SMN2HPGDHTTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700560-B2 Inactivators and bivalent inhibitors of glyoxalase I and methods of inhibiting tumor growth UNIVERSITY OF MARYLAND, BALTIMORE COUNTY (US) 2010-04-20 — — US disclosed
US-20070129311-A1 Inactivators and bivalent inhibitors of glyoxalase i and methods inhibiting tumor growth UNIVERSITY OF MARYLAND, BALTIMORE COUNTY 2007-06-07 — — 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-20070129311-A1 Inactivators and bivalent inhibitors of glyoxalase i and methods inhibiting tumor growth GLS, GLO1, GLRX3 SMN1; SMN2 4149/4885HPGD 188/4885HTT 3306/4885

“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.

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