SCHEMBL655032

SCHEMBL655032

O=C(COc1ccc(Cl)cc1Cl)N1CCNCC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.78
SMN1; SMN2 Q16637 5/20 0.76
TSHR P16473 3/20 0.76
HPGD P15428 3/20 0.76
NPSR1 Q6W5P4 2/20 0.76
GAA P10253 2/20 0.76
MAPT P10636 1/20 0.76
ALOX12 P18054 1/20 0.76
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 1/20 0.61
RECQL P46063 1/20 0.59
ENPP2 Q13822 4/20 0.58
LMNA P02545 4/20 0.57
NPC1 O15118 1/20 0.57
MAPK1 P28482 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
TDP1 Q9NUW8 1/20 0.56
TP53 P04637 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL31329301 0.87 HTT (1.00) HTTSMN1; SMN2TSHRHPGDNPSR1
SCHEMBL26881130 0.87 RECQL (0.79) HTTSMN1; SMN2TSHRHPGDNPSR1
SCHEMBL652306 0.87 SMN1; SMN2 (0.77) HTTSMN1; SMN2TSHRHPGDNPSR1
SCHEMBL26699214 0.85 HTT (0.62) HTTSMN1; SMN2TSHRHPGDNPSR1
SCHEMBL15134824 0.84 SMN1; SMN2 (0.80) HTTSMN1; SMN2TSHRHPGDNPSR1
SCHEMBL15337749 0.82 SMN1; SMN2 (0.76) HTTSMN1; SMN2TSHRHPGDNPSR1
SCHEMBL5056360 0.81 SMN1; SMN2 (0.74) HTTSMN1; SMN2TSHRHPGDNPSR1
SCHEMBL19231623 0.81 SMN1; SMN2 (0.74) HTTSMN1; SMN2TSHRHPGDNPSR1
SCHEMBL10244356 0.81 SMN1; SMN2 (0.74) HTTSMN1; SMN2TSHRHPGDNPSR1
SCHEMBL170018 0.80 TPSAB1 (0.76) HTTSMN1; SMN2TSHRHPGDGAA

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9573966-B2 Anti-cancer activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2017-02-21 US claimed
EP-2616077-B1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES UNIV LEUVEN KATH (BE) 2016-08-31 EP claimed
US-9193741-B2 Antiviral activity of bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K. U. LEUVEN R&D (BE) 2015-11-24 US claimed
EP-2405973-B1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS UNIV LEUVEN KATH (BE) 2015-04-22 EP claimed
US-8901132-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-12-02 US claimed
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-03-27 US claimed
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2013-07-25 US claimed
EP-2616077-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2013-07-24 EP claimed
EP-2575969-A1 ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2013-04-10 EP claimed
WO-2012035423-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-03-22 WO claimed
US-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-02-23 US claimed
EP-2405973-A2 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-01-18 EP claimed
WO-2011147753-A1 ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2011-12-01 WO claimed
WO-2010103130-A2 NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2010-09-16 WO claimed
EP-4247787-A2 METHODS AND COMPOSITION FOR KRAS MODIFICATIONS 2692372 Ontario, Inc. (CA) 2023-09-27 EP disclosed
CN-116745264-A Methods and compositions for KRAS modification 2692372安大略公司 2023-09-12 CN disclosed
WO-2022106897-A2 METHODS AND COMPOSITION FOR KRAS MODIFICATIONS 2692372 ONTARIO, INC. (CA) 2022-05-27 WO disclosed
WO-2011147753-A1 ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2011-12-01 WO disclosed
WO-2010103130-A2 NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2010-09-16 WO disclosed
WO-2010103130-A2 NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2010-09-16 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 (3 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-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS TPMT, STAT6, IL4 HTT 4519/4885SMN1; SMN2 4474/4885TSHR 608/4885
US-20130190297-A1 Antiviral Activity of Novel Bicyclic Heterocycles HAVCR2, RNASE1, RNASEH1 HTT 3711/4885SMN1; SMN2 662/4885TSHR 4039/4885
US-20140088088-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES CCNA1, CCND3, CCND1 HTT 2408/4885SMN1; SMN2 2484/4885TSHR 3524/4885

“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.