SCHEMBL13820113

SCHEMBL13820113

Nc1ccc(Br)cc1C(=O)Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.68
GLA P06280 1/20 0.68
PLAU P00749 1/20 0.62
MAPT P10636 4/20 0.59
POLB P06746 3/20 0.59
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
CES2 O00748 1/20 0.45
GALR3 O60755 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
CASP1 P29466 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 1/20 0.42
DGAT1 O75907 1/20 0.41
KMT2A Q03164 3/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL13967325 0.83 KDM4E (0.52) KDM4EGLAPLAUMAPTPOLB
SCHEMBL145485 0.81 KDM4E (1.00) KDM4EGLAPLAUMAPTPOLB
SCHEMBL147774 0.81 KDM4E (0.70) KDM4EGLAPLAUMAPTPOLB
SCHEMBL29622752 0.81 KDM4E (1.00) KDM4EGLAPLAUMAPTPOLB
SCHEMBL31173096 0.80 HPGD (0.50) KDM4EGLAPLAUMAPTPOLB
SCHEMBL79936 0.79 KDM4E (0.68) KDM4EGLAPLAUMAPTPOLB
SCHEMBL29560778 0.79 KDM4E (0.68) KDM4EGLAPLAUMAPTPOLB
SCHEMBL8398733 0.79 KDM4E (0.61) KDM4EGLAPLAUMAPTPOLB
SCHEMBL32672680 0.79 KDM4E (0.61) KDM4EGLAPLAUMAPTPOLB
SCHEMBL706916 0.78 ALOX15 (0.48) KDM4EGLAPLAUMAPTPOLB

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 14 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 1666/4885GLA 3826/4885PLAU 4639/4885
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 KDM4E 1666/4885GLA 3826/4885PLAU 4639/4885

“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.