SCHEMBL13367283

SCHEMBL13367283

CCCCOc1c(C(=O)N2CCSC2=S)ccn(C)c1=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
MAPT P10636 7/20 0.50
KMT2A Q03164 6/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 4/20 0.34
TP53 P04637 2/20 0.33
LMNA P02545 1/20 0.33
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 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
SCHEMBL13367285 0.87 ALDH1A1 (0.39) ALDH1A1MAPTKMT2ASMN1; SMN2CYP1A2
SCHEMBL16644651 0.87 MAPT (0.46) ALDH1A1MAPTKMT2ASMN1; SMN2CYP1A2
SCHEMBL12697310 0.86 MAPT (0.58) ALDH1A1MAPTKMT2ASMN1; SMN2CYP1A2
SCHEMBL17980841 0.84 MAPT (0.56) ALDH1A1MAPTKMT2ASMN1; SMN2CYP1A2
SCHEMBL19057319 0.84 MAPT (0.53) ALDH1A1MAPTKMT2ASMN1; SMN2CYP1A2
SCHEMBL8334981 0.83 KMT2A (0.47) ALDH1A1MAPTKMT2ASMN1; SMN2CYP1A2
SCHEMBL17175280 0.81 MAPT (0.52) ALDH1A1MAPTKMT2ASMN1; SMN2CYP1A2
SCHEMBL13952961 0.79 MAPT (0.58) ALDH1A1MAPTKMT2ASMN1; SMN2CYP1A2
SCHEMBL15613436 0.79 MAPT (0.50) ALDH1A1MAPTKMT2ASMN1; SMN2CYP1A2
SCHEMBL16790911 0.78 KMT2A (0.49) ALDH1A1MAPTKMT2ASMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170340759-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER AS (NO) 2017-11-30 US disclosed
US-20170319721-A1 ALPHA-EMITTING COMPLEXES BAYER AS (NO) 2017-11-09 US disclosed
WO-2017162555-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 WO disclosed
US-9724436-B2 Alpha-emitting complexes BAYER AS (NO) 2017-08-08 US disclosed
US-9439984-B2 Macrocycles THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-09-13 US disclosed
US-20150157746-A1 MACROCYCLES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-06-11 US disclosed
WO-2013187971-A2 MACROCYCLES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-12-19 WO disclosed
US-20130183235-A1 ALPHA-EMITTING COMPLEXES ALGETA ASA (NO) 2013-07-18 US disclosed
US-7718781-B2 Hydroxypyridonate and hydroxypyrimidinone chelating agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-05-18 US disclosed
WO-2007121453-A2 2-HYDROXY-1-OXO 1,2 DIHYDRO ISOQUINOLINE CHELATING AGENTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-10-25 WO 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-20130183235-A1 ALPHA-EMITTING COMPLEXES TK1, KPNA1, HPRT1 ALDH1A1 1665/4885MAPT 2019/4885KMT2A 2716/4885
US-20170319721-A1 ALPHA-EMITTING COMPLEXES TK1, KPNA1, HPRT1 ALDH1A1 1665/4885MAPT 2019/4885KMT2A 2716/4885
US-20150157746-A1 MACROCYCLES SLC39A14, SLC39A3, SLC40A1 ALDH1A1 3621/4885MAPT 4228/4885KMT2A 2927/4885
US-20170340759-A1 RADIO-PHARMACEUTICAL COMPLEXES PTMS, THOP1, PHPT1 ALDH1A1 3524/4885MAPT 917/4885KMT2A 4075/4885

“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.