SCHEMBL3353110

SCHEMBL3353110

CNC(=S)Nc1ccccc1C(N)=O

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.66
ALDH1A1 P00352 6/20 0.66
LMNA P02545 4/20 0.56
HPGD P15428 3/20 0.56
MAPT P10636 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 2/20 0.50
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL5129490 0.84 KDM4E (0.63) KDM4EALDH1A1POLBKMT2AMEN1
SCHEMBL8686659 0.82 ALDH1A1 (0.68) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL10827700 0.81 LMNA (0.72) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL5365142 0.79 KDM4E (0.65) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL9818531 0.79 ALDH1A1 (0.77) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL894741 0.78 SIRT2 (0.70) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL9728074 0.78 ALDH1A1 (0.70) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL704708 0.77 KDM4E (0.62) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL6685518 0.76 ALDH1A1 (0.64) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL9728569 0.76 ALDH1A1 (0.74) KDM4EALDH1A1LMNAHPGDMAPT

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-20080161325-A1 e.g. N1-[3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]-3-(butylsulfonyl)-N1-(3-ethylbenzyl)-D-alaninamide dihydrochloride; inhibitors of amyloid beta-secretase enzyme; neurodegenerative diseases: Alzheimer's, Parkinson's diseases, Down's syndrome ELAN PHARMACEUTICALS, INC. 2008-07-03 US claimed
EP-4319756-A1 CBL-B MODULATORS AND USES THEREOF Nimbus Clio, Inc. (US) 2024-02-14 EP disclosed
WO-2022217276-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-10-13 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 (2 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-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 KDM4E 4082/4885ALDH1A1 2133/4885LMNA 479/4885
US-20080161325-A1 e.g. N1-[3-amino-4-(3,5-difluorophenyl)-2-hydroxybutyl]-3-(butylsulfonyl)-N1-(3-ethylbenzyl)-D-alaninamide dihydrochloride; inhibitors of amyloid beta-secretase enzyme; neurodegenerative diseases: Alzheimer's, Parkinson's diseases, Down's syndrome BACE1, APP, BACE2 KDM4E 3054/4885ALDH1A1 2178/4885LMNA 133/4885

“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.