SCHEMBL534017

SCHEMBL534017

ON=Cc1cccc(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
SCHEMBL534016 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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114656460-A Novel FXR agonist with pyrazine structure, preparation method and application 江苏天士力帝益药业有限公司 2022-06-24 CN disclosed
CN-108059623-B Substituted aryl-containing bisisoxazole aryl amidine compound, and preparation method and application thereof 浙江省化工研究院有限公司 2021-07-13 CN disclosed
EP-3833434-A1 COMPOUNDS USEFUL IN MODULATING THE FARNESOID X RECEPTOR AND METHODS OF MAKING AND USING THE SAME INORBIT THERAPEUTICS AB (SE) 2021-06-16 EP disclosed
WO-2021079962-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND/OR TREATMENT OF HEARING LOSS 国立大学法人大阪大学 2021-04-29 WO disclosed
EP-3746448-A1 NITROGENOUS TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE Sunshine Lake Pharma Co., Ltd. (CN) 2020-12-09 EP disclosed
CN-111978203-A Microwave synthesis method of benzaldehyde oxime compound 浙江工业大学 2020-11-24 CN disclosed
WO-2020033382-A1 COMPOUNDS USEFUL IN MODULATING THE FARNESOID X RECEPTOR AND METHODS OF MAKING AND USING THE SAME INORBIT THERAPEUTICS AB (SE) 2020-02-13 WO disclosed
WO-2019149158-A1 NITROGENOUS TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-08-08 WO disclosed
CN-109970672-A A kind of high-purity thermostabilization replaces the crystal form and preparation method and application of 3- isoxazole alkanone compound 浙江省诸暨合力化学对外贸易有限公司 2019-07-05 CN disclosed
CN-106146483-A Heterocyclic method Buddhist nun's ester derivant X receptor modulators 上海迪诺医药科技有限公司 2016-11-23 CN 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
CN-1151396-A Hydroxylamine derivatives and fungicides containing the same NIHON NOHYAKU CO LTD (JP) 1997-06-11 CN disclosed
CN-88101407-A BENZADOXIME DERIVATIVES 1988-10-05 CN disclosed
EP-0258391-A1 USE OF HETEROCYCLIC NITROGEN-CONTAINING COMPOUNDS FOR REDUCING MOISTURE LOSS FROM PLANTS AND INCREASING CROP YIELD RHONE POULENC NEDERLAND B.V. (NL) 1988-03-09 EP disclosed
WO-1987004321-A2 USE OF HETEROCYCLIC NITROGEN-CONTAINING COMPOUNDS FOR REDUCING MOISTURE LOSS FROM PLANTS AND INCREASING CROP YIELD RHONE-POULENC NEDERLANDS B.V. (NL) 1987-07-30 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-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

“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.