SCHEMBL5887976

SCHEMBL5887976

O=C(CCl)N1CCN(c2ncccn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.60
POLB P06746 1/20 0.59
ALDH1A1 P00352 4/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
HTT P42858 1/20 0.57
TDP1 Q9NUW8 1/20 0.56
PPARG P37231 1/20 0.56
NR2E3 Q9Y5X4 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
GAA P10253 3/20 0.56
NPC1 O15118 1/20 0.56
MAPT P10636 1/20 0.56
TSHR P16473 1/20 0.56
HTR7 P34969 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
LMNA P02545 2/20 0.52
MAPK1 P28482 1/20 0.51
SLC6A7 Q99884 1/20 0.51

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
SCHEMBL22864356 0.83 KDM4E (0.60) KDM4EPOLBALDH1A1L3MBTL1HTT
SCHEMBL15630613 0.83 KDM4E (0.60) KDM4EPOLBALDH1A1L3MBTL1HTT
SCHEMBL10219911 0.83 KDM4E (0.60) KDM4EPOLBALDH1A1L3MBTL1HTT
SCHEMBL5888051 0.83 KDM4E (0.60) KDM4EPOLBALDH1A1L3MBTL1HTT
SCHEMBL14973024 0.83 KDM4E (0.60) KDM4EPOLBALDH1A1L3MBTL1HTT
Hydrochloric Acid SCHEMBL5887944 0.81 KDM4E (0.58) KDM4EPOLBALDH1A1L3MBTL1HTT
Ammonia Solution, Strong SCHEMBL5888116 0.81 KDM4E (0.58) KDM4EPOLBALDH1A1L3MBTL1HTT
SCHEMBL7365515 0.81 KDM4E (0.71) KDM4EPOLBALDH1A1L3MBTL1HTT
SCHEMBL9558198 0.80 MEN1 (0.59) KDM4EALDH1A1L3MBTL1GAATSHR
SCHEMBL13827637 0.80 MEN1 (0.61) KDM4EPOLBALDH1A1L3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3275870-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-02-05 EP disclosed
EP-3275870-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS Gilead Sciences, Inc. (US) 2018-01-31 EP disclosed
EP-2707361-B1 FUSED HETEROCYCLIC COMPOUNDS AS SODIUM CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2017-08-23 EP disclosed
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 US disclosed
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 US disclosed
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-12-15 US disclosed
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-12-15 US disclosed
US-9403782-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-08-02 US disclosed
US-9403782-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-08-02 US disclosed
US-9115096-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-08-25 US disclosed
US-9115096-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-08-25 US disclosed
WO-2012154760-A1 FUSED HETEROCYCLIC COMPOUNDS AS SODIUM CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2012-11-15 WO disclosed
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2012-11-15 US disclosed
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2012-11-15 US disclosed
US-7125995-B2 Substituted amidoalkyl uracils and their use as inhibitors of the poly(adp-ribose) synthetase (PARS) BAYER AKTIENGESELLSCHAFT (DE) 2006-10-24 US disclosed
US-20050075347-A1 Substituted amidoalkyl uracils and their use as inhibitors of the poly(adp-ribose) synthetase (pars) BAYER AKTIENGESELLSCHAFT (DE) 2005-04-07 US disclosed
EP-1339699-A1 SUBSTITUTED AMIDOALKYL URACILS AND THE USE THEREOF Bayer Aktiengesellschaft (DE) 2003-09-03 EP disclosed
WO-2002040455-A1 SUBSTITUTED AMIDOALKYL URACILS AND THEIR USE AS INHIBITORS OF THE POLY(ADP-RIBOSE) SYNTHETASE (PARS) BAYER AKTIENGESELLSCHAFT (DE) 2002-05-23 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-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 KDM4E 1666/4885POLB 4763/4885ALDH1A1 1702/4885
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 KDM4E 1666/4885POLB 4763/4885ALDH1A1 1702/4885
US-20050075347-A1 Substituted amidoalkyl uracils and their use as inhibitors of the poly(adp-ribose) synthetase (pars) UNG, UMPS, PARP1 KDM4E 4082/4885POLB 208/4885ALDH1A1 447/4885

“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.