SCHEMBL5556928

SCHEMBL5556928

CCCCCc1nncs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
AKT1 P31749 7/20 0.42
PDPK1 O15530 1/20 0.42
ABCB11 O95342 1/20 0.42
AKT2 P31751 1/20 0.42
GAB1 Q13480 1/20 0.42
AKT3 Q9Y243 1/20 0.42
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
GAPDH P04406 1/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
NR4A1 P22736 1/20 0.34
APEX1 P27695 1/20 0.34
PTPN7 P35236 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL11499173 0.98 ALDH1A1 (0.47) ALDH1A1AKT1PDPK1ABCB11AKT2
SCHEMBL11149825 0.98 ALDH1A1 (0.47) ALDH1A1AKT1PDPK1ABCB11AKT2
SCHEMBL21144279 0.98 ALDH1A1 (0.47) ALDH1A1AKT1PDPK1ABCB11AKT2
SCHEMBL4660784 0.94
SCHEMBL4054411 0.85 MAPT (0.43) ALDH1A1AKT1PDPK1ABCB11AKT2
SCHEMBL14401558 0.85
SCHEMBL2010135 0.77
SCHEMBL1101930 0.75
SCHEMBL4219953 0.72 CES1 (0.49) ALDH1A1TSHR
SCHEMBL2006039 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197577-A1 Inhibitors of anthrax lethal factor CENGENT THERAPEUTICS (US) 2007-08-23 US claimed
WO-2005027856-A2 INHIBITORS OF ANTHRAX LETHAL FACTOR CENGENT THERAPEUTICS (US) 2005-03-31 WO claimed
CN-116622432-A Motor vehicle brake fluid and preparation method and application thereof 中国石油化工股份有限公司 2023-08-22 CN disclosed
US-20230025130-A1 METHODS FOR MODULATING SPLICING SKYHAWK THERAPEUTICS, INC. 2023-01-26 US disclosed
US-11129829-B2 Methods for modulating splicing SKYHAWK THERAPEUTICS, INC. (US) 2021-09-28 US disclosed
US-20200390765-A1 METHODS FOR MODULATING SPLICING SKYHAWK THERAPEUTICS, INC. 2020-12-17 US disclosed
US-10737280-B2 Method of using flotation collector containing azolethione structure CENTRAL SOUTH UNIVERSITY (CN) 2020-08-11 US disclosed
US-20190217310-A1 METHOD OF USING FLOTATION COLLECTOR CONTAINING AZOLETHIONE STRUCTURE CENTRAL SOUTH UNIVERSITY (CN) 2019-07-18 US disclosed
US-20080280836-A1 Anti-hypercholesterolemic biaryl azetidinone compounds MORRIELLO GREGORI J 2008-11-13 US disclosed
US-20070197577-A1 Inhibitors of anthrax lethal factor CENGENT THERAPEUTICS (US) 2007-08-23 US disclosed
WO-2005027856-A2 INHIBITORS OF ANTHRAX LETHAL FACTOR CENGENT THERAPEUTICS (US) 2005-03-31 WO disclosed
EP-0502110-B1 (HETERO) 4-ARYLMETHOXY PHENYL DIAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, AND THEIR THERAPEUTICAL APPLICATIONS SYNTHELABO (FR) 1995-02-01 EP 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 (5 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-20080280836-A1 Anti-hypercholesterolemic biaryl azetidinone compounds APOB, PCSK9, CYP46A1 ALDH1A1 1045/4885AKT1 1237/4885PDPK1 4176/4885
US-11129829-B2 Methods for modulating splicing RBM17, SNRPE, SNRPB2 ALDH1A1 3474/4885AKT1 2455/4885PDPK1 2728/4885
US-20230025130-A1 METHODS FOR MODULATING SPLICING RBM17, SNRPE, SNRPB2 ALDH1A1 3474/4885AKT1 2455/4885PDPK1 2728/4885
US-20070197577-A1 Inhibitors of anthrax lethal factor APAF1, ANTXR2, LITAF ALDH1A1 4059/4885AKT1 1215/4885PDPK1 2712/4885
US-20200390765-A1 METHODS FOR MODULATING SPLICING RBM17, SNRPE, SNRPB2 ALDH1A1 3474/4885AKT1 2455/4885PDPK1 2728/4885

“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.