SCHEMBL458194

SCHEMBL458194

O=C(Cl)c1cccc(CCl)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.41
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
BRD4 O60885 1/20 0.40
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
PDE5A O76074 2/20 0.35
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.34
P2RX7 Q99572 1/20 0.34
PTGER1 P34995 1/20 0.34

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
SCHEMBL39745 0.84 KDM4E (0.61) MRGPRX4KDM4EALOX15TSHRACMSD
SCHEMBL31443034 0.84 KDM4E (0.61) MRGPRX4KDM4EALOX15TSHRACMSD
SCHEMBL30885081 0.82 NPSR1 (0.43) MRGPRX4KDM4EALOX15TSHRACMSD
Hydrochloric Acid SCHEMBL28435938 0.82 KDM4E (0.59) MRGPRX4KDM4EALOX15TSHRACMSD
SCHEMBL1057937 0.82 NPSR1 (0.43) MRGPRX4KDM4EALOX15TSHRACMSD
Methyl Alcohol SCHEMBL29028982 0.81 KDM4E (0.57) MRGPRX4KDM4EALOX15TSHRACMSD
SCHEMBL321127 0.80 KDM4E (0.59) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL465719 0.78 MRGPRX4 (0.54) MRGPRX4KDM4ETSHRBRD4CYP1A2
SCHEMBL1742260 0.78 MBOAT4 (0.46) MRGPRX4KDM4EALOX15TSHRACMSD
SCHEMBL29490154 0.78 MRGPRX4 (0.54) MRGPRX4KDM4ETSHRBRD4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9326987-B2 Indazole derivatives for use in the treatment of influenza virus infection GLAXO GROUP LIMITED (GB) 2016-05-03 US disclosed
EP-2280946-B1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LTD (GB) 2016-02-10 EP disclosed
US-8765743-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-07-01 US disclosed
EP-2613781-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-07-17 EP disclosed
US-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 US disclosed
EP-2507226-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2012-10-10 EP disclosed
US-20120238559-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-09-20 US disclosed
US-8163743-B2 4-carboxamide indazole derivatives useful as inhibitors of PI3-kinases GlaxoGroupLimited (GB) 2012-04-24 US disclosed
WO-2012032065-A1 INDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF INFLUENZA VIRUS INFECTION GLAXO GROUP LIMITED (GB) 2012-03-15 WO disclosed
WO-2011067364-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-06-09 WO disclosed
US-20110118246-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2011-05-19 US disclosed
US-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2011-05-12 US disclosed
EP-2280959-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2011-02-09 EP disclosed
EP-2280946-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES Glaxo Group Limited (GB) 2011-02-09 EP disclosed
WO-2009147187-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LIMITED (GB) 2009-12-10 WO disclosed
WO-2009147190-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 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-20130165433-A1 Novel Use HAVCR2, MAVS, ENTPD5 MRGPRX4 156/4885KDM4E 3214/4885ALOX15 3008/4885
US-20110118246-A1 Novel Compounds PIK3CA, PIK3C2B, PIK3CD MRGPRX4 2007/4885KDM4E 2598/4885ALOX15 3744/4885
US-20120238559-A1 NOVEL COMPOUNDS PIK3CA, PIK3CD, PIK3C2B MRGPRX4 2257/4885KDM4E 2462/4885ALOX15 3528/4885
US-20110112070-A1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES CDK3, CDK13, MAP3K13 MRGPRX4 2276/4885KDM4E 1266/4885ALOX15 4823/4885

“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.