SCHEMBL10245532

SCHEMBL10245532

CC(C)(C)N1CCN(C(=O)Cc2cccs2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.65
ALDH1A1 P00352 8/20 0.60
MAPT P10636 3/20 0.60
GFER P55789 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.57
POLB P06746 3/20 0.57
TSHR P16473 1/20 0.57
LMNA P02545 4/20 0.56
HSD17B10 Q99714 3/20 0.56
KDM4E B2RXH2 2/20 0.56
HPGD P15428 2/20 0.56
CASP1 P29466 1/20 0.56
KMT2A Q03164 5/20 0.55
MEN1 O00255 4/20 0.55
PKM P14618 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
GAA P10253 1/20 0.54
RECQL P46063 1/20 0.49
ESR2 Q92731 1/20 0.49
MAPK1 P28482 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
SCHEMBL15134835 0.85 HTT (0.72) HTTALDH1A1MAPTGFERSMN1; SMN2
SCHEMBL4947647 0.80 HTT (0.65) HTTALDH1A1MAPTGFERSMN1; SMN2
SCHEMBL8781421 0.80 HTT (0.65) HTTALDH1A1MAPTGFERSMN1; SMN2
SCHEMBL6190463 0.79 HTT (0.63) HTTALDH1A1MAPTGFERSMN1; SMN2
SCHEMBL13926091 0.79 HTT (0.64) HTTALDH1A1MAPTGFERSMN1; SMN2
SCHEMBL10373273 0.78 HTT (0.62) HTTALDH1A1MAPTGFERSMN1; SMN2
SCHEMBL18106944 0.76 KMT2A (0.60) HTTALDH1A1MAPTGFERSMN1; SMN2
SCHEMBL13149394 0.76 ALDH1A1 (0.77) HTTALDH1A1MAPTGFERSMN1; SMN2
SCHEMBL19000972 0.76 HSD11B1 (0.65) HTTALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL752555 0.76 PKM (0.74) HTTALDH1A1MAPTPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9730944-B2 Antiviral activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2017-08-15 US disclosed
US-9730944-B2 Antiviral activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2017-08-15 US disclosed
US-9573966-B2 Anti-cancer activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2017-02-21 US disclosed
US-9573966-B2 Anti-cancer activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2017-02-21 US disclosed
US-20160030447-A1 Antiviral Activity of Novel Bicyclic Heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2016-02-04 US disclosed
US-9221822-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K. U. LEUVEN R&D (BE) 2015-12-29 US disclosed
US-9193741-B2 Antiviral activity of bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K. U. LEUVEN R&D (BE) 2015-11-24 US disclosed
US-20150038494-A1 Thiazolopyrimidine Modulators as Immunosuppressive Agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2015-02-05 US disclosed
US-8901132-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-12-02 US disclosed
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-03-27 US disclosed
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2013-07-25 US disclosed
US-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-02-23 US disclosed
US-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-02-23 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 (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-20150038494-A1 Thiazolopyrimidine Modulators as Immunosuppressive Agents TPMT, STAT6, IL4 HTT 4519/4885ALDH1A1 517/4885MAPT 3520/4885
US-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS TPMT, STAT6, IL4 HTT 4519/4885ALDH1A1 517/4885MAPT 3520/4885
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles HAVCR2, RNASE1, RNASEH1 HTT 3711/4885ALDH1A1 548/4885MAPT 4213/4885
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES CCNA1, CCND3, CCND1 HTT 2408/4885ALDH1A1 441/4885MAPT 4850/4885
US-20160030447-A1 Antiviral Activity of Novel Bicyclic Heterocycles RNASE1, HAVCR2, RNASEH1 HTT 1008/4885ALDH1A1 682/4885MAPT 3556/4885

“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.