SCHEMBL534016

SCHEMBL534016

O/N=C/c1cccc(Cl)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.59
PPP1R15A O75807 1/20 0.59
MELK Q14680 1/20 0.59
PPP1R15B Q5SWA1 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
KMT2A Q03164 3/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HTT P42858 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPT P10636 4/20 0.42
MEN1 O00255 2/20 0.40
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL32680261 1.00 L3MBTL1 (0.59) L3MBTL1PPP1R15AMELKPPP1R15BNPSR1
SCHEMBL2161103 1.00 L3MBTL1 (0.59) L3MBTL1PPP1R15AMELKPPP1R15BNPSR1
SCHEMBL534017 1.00 L3MBTL1 (0.59) L3MBTL1PPP1R15AMELKPPP1R15BNPSR1
Bicarbonate SCHEMBL11884724 0.92 ALDH1A1 (0.54) L3MBTL1PPP1R15AMELKPPP1R15BNPSR1
SCHEMBL534274 0.82 GRIN2D (0.57) L3MBTL1NPSR1ALDH1A1LMNAKMT2A
SCHEMBL30862631 0.82 GRIN2D (0.57) L3MBTL1NPSR1ALDH1A1LMNAKMT2A
SCHEMBL1776974 0.82 GRIN2D (0.57) L3MBTL1NPSR1ALDH1A1LMNAKMT2A
SCHEMBL534275 0.82 GRIN2D (0.57) L3MBTL1NPSR1ALDH1A1LMNAKMT2A
SCHEMBL6884832 0.81 ALOX12 (0.55) L3MBTL1PPP1R15AMELKPPP1R15BNPSR1
SCHEMBL7602955 0.81 ALOX12 (0.55) L3MBTL1PPP1R15AMELKPPP1R15BNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO disclosed
EP-1423111-A4 FXR NR1H4 NUCLEAR RECEPTOR BINDING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2007-04-18 EP disclosed
WO-2006064484-A1 AZABICYCLONONENE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2006-06-22 WO disclosed
US-7056924-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-06-06 US disclosed
US-7034046-B2 NR1H4 nuclear receptor binding compounds PHENEX PHARMACEUTICALS AG (DE) 2006-04-25 US disclosed
US-7001909-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-02-21 US disclosed
EP-1583760-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV Therapeutics Inc. (US) 2005-10-12 EP disclosed
US-20040176383-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-09-09 US disclosed
WO-2004067506-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS INC. (US) 2004-08-12 WO disclosed
EP-1423111-A1 FXR NR1H4 NUCLEAR RECEPTOR BINDING COMPOUNDS LION Bioscience AG (DE) 2004-06-02 EP disclosed
US-20030187042-A1 NR1H4 nuclear receptor binding compounds PHENEX PHARMACEUTICALS AG (DE) 2003-10-02 US disclosed
US-20030176447-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2003-09-18 US disclosed
WO-2003015771-A1 FXR NR1H4 NUCLEAR RECEPTOR BINDING COMPOUNDS LION BIOSCIENCE AG (DE) 2003-02-27 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-20030176447-A1 Substituted heterocyclic compounds DLD, LPL, HDLBP L3MBTL1 466/4885PPP1R15A 693/4885MELK 2199/4885
US-20030187042-A1 NR1H4 nuclear receptor binding compounds NR1H4, NR1H2, NR1H3 L3MBTL1 4354/4885PPP1R15A 3389/4885MELK 928/4885
US-20040176383-A1 Substituted heterocyclic compounds DLD, LPL, HDLBP L3MBTL1 466/4885PPP1R15A 693/4885MELK 2199/4885
US-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 L3MBTL1 4282/4885PPP1R15A 2318/4885MELK 3033/4885

“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.