SCHEMBL13024524

SCHEMBL13024524

O=C(OCC(=O)N1CCCC1=O)c1ccc2ncsc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.60
▸ TDP1 Q9NUW8 5/20 0.60
▸ L3MBTL1 Q9Y468 5/20 0.60
▸ USP2 O75604 2/20 0.60
▸ POLB P06746 2/20 0.60
▸ MAPT P10636 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ KMT2A Q03164 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.52
▸ CASP6 P55212 1/20 0.52
▸ NTRK1 P04629 4/20 0.48
▸ NTRK2 Q16620 4/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ HKDC1 Q2TB90 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ HPGD P15428 1/20 0.48

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
SCHEMBL13024512 0.90 KDM4E (0.51) KDM4ETDP1L3MBTL1USP2POLB
SCHEMBL9653929 0.74 KMT2A (0.67) TDP1L3MBTL1POLBMAPTKMT2A
SCHEMBL2665689 0.72 TDP1 (0.63) KDM4ETDP1L3MBTL1POLBMAPT
SCHEMBL21240899 0.69 KDM4E (0.64) KDM4ETDP1L3MBTL1USP2POLB
SCHEMBL18062419 0.68 NPC1 (0.66) KDM4ETDP1L3MBTL1KMT2AALDH1A1
SCHEMBL507242 0.68 RAB9A (0.66) KDM4ETDP1L3MBTL1POLBMAPT
SCHEMBL28327199 0.68 NPC1 (0.66) KDM4ETDP1L3MBTL1POLBKMT2A
SCHEMBL1192767 0.68 TDP1 (0.58) KDM4ETDP1L3MBTL1USP2POLB
SCHEMBL192332 0.67 NPC1 (1.00) KDM4ETDP1L3MBTL1POLBKMT2A
SCHEMBL29944113 0.67 LMNA (0.67) KDM4ETDP1L3MBTL1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993718-B2 Methods and compositions for detecting and modulating O-glycosylation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-03-31 — — US disclosed
US-20140187444-A1 METHODS AND COMPOSITIONS FOR DETECTING AND MODULATING O-GLYCOSYLATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-07-03 — — US disclosed
US-8524444-B2 Methods and compositions for detections and modulating O-glycosylation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-09-03 — — US disclosed
US-20100290987-A1 METHODS AND COMPOSITIONS FOR DETECTING AND MODULATING O-GLYCOSYLATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2010-11-18 — — 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-20100290987-A1 METHODS AND COMPOSITIONS FOR DETECTING AND MODULATING O-GLYCOSYLATION OGA, IAPP, IDE KDM4E 2545/4885TDP1 2142/4885L3MBTL1 2659/4885

“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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