SCHEMBL3347731

SCHEMBL3347731

CC(=O)Nc1sc(Cl)cc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.53
KDM4E B2RXH2 5/20 0.47
HSD17B10 Q99714 3/20 0.47
RAB9A P51151 4/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 3/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GSK3B P49841 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
PTPN5 P54829 1/20 0.39
ALOX15 P16050 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
PTK2 Q05397 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL16246345 0.84 MEN1 (0.59) KDM4EHSD17B10RAB9AMAPTNPC1
SCHEMBL11578885 0.83 ALDH1A1 (0.44) KDM4EHSD17B10RAB9AMAPTNPC1
SCHEMBL23413599 0.80 DAO (0.47) DAOKDM4ERAB9AMAPTNPC1
SCHEMBL23413600 0.80 DAO (0.47) DAOKDM4ERAB9AMAPTNPC1
SCHEMBL21411372 0.80 ALDH1A1 (0.49) KDM4EHSD17B10RAB9AMAPTNPC1
SCHEMBL25370380 0.79 MAPT (0.49) DAOKDM4ERAB9AMAPTNPC1
SCHEMBL1801520 0.78 DAO (0.49) DAOKDM4EHSD17B10RAB9ANPC1
SCHEMBL23413323 0.78 DAO (0.45) DAOKDM4ERAB9AMAPTNPC1
SCHEMBL21247360 0.77 MAPT (0.67) DAOKDM4ERAB9AMAPTNPC1
SCHEMBL23413471 0.77 DAO (0.47) DAOKDM4ERAB9AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US claimed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US claimed
EP-1453789-A2 N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP claimed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 US claimed
WO-2003040096-A2 N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES ELAN PHARMACEUTICALS, INC. (US) 2003-05-15 WO claimed
US-20240294499-A1 TARGETED PROTEIN DEGRADATION USING BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN CAPTOR THERAPEUTICS S.A. (PL) 2024-09-05 US disclosed
US-20230065745-A1 PIPERIDINE-2,6-DIONE DERIVATIVES WHICH BIND TO CEREBLON, AND METHODS OF USE THEREOF CAPTOR THERAPEUTICS S.A. (PL) 2023-03-02 US disclosed
WO-2021105335-A1 PIPERIDINE-2, 6-DIONE DERIVATIVES WHICH BIND TO CEREBLON, AND METHODS OF USE THEREOF CAPTOR THERAPEUTICS S.A. (PL) 2021-06-03 WO disclosed
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 US disclosed
US-7176242-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-02-13 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 (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-20240294499-A1 TARGETED PROTEIN DEGRADATION USING BIFUNCTIONAL COMPOUNDS THAT BIND UBIQUITIN LIGASE AND TARGET MCL-1 PROTEIN MCL1, MDM2, XIAP DAO 3483/4885KDM4E 1943/4885HSD17B10 3206/4885
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 DAO 109/4885KDM4E 4309/4885HSD17B10 362/4885
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP DAO 854/4885KDM4E 4082/4885HSD17B10 726/4885
US-20230065745-A1 PIPERIDINE-2,6-DIONE DERIVATIVES WHICH BIND TO CEREBLON, AND METHODS OF USE THEREOF CRBN, CDR2, FABP7 DAO 1403/4885KDM4E 2325/4885HSD17B10 3504/4885

“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.