SCHEMBL3639725

SCHEMBL3639725

O=Cc1ccc(-c2cccc(OC(F)(F)F)c2)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 4/20 0.52
POLB P06746 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 2/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PRMT1 Q99873 2/20 0.49
LMNA P02545 2/20 0.46
PRKDC P78527 1/20 0.46
CYP2E1 P05181 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2B6 P20813 1/20 0.46
CYP2C19 P33261 1/20 0.46
LDHA P00338 1/20 0.42
LDHB P07195 1/20 0.42

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
SCHEMBL5124585 0.82 ALDH1A1 (0.60) ALDH1A1KDM4EPOLBTDP1L3MBTL1
SCHEMBL2549273 0.81 PIK3CG (0.58) ALDH1A1KDM4EPOLBTDP1L3MBTL1
SCHEMBL1199113 0.78 KDM4E (0.67) ALDH1A1KDM4EPOLBTDP1L3MBTL1
SCHEMBL7328684 0.75 ALDH1A1 (0.64) ALDH1A1KDM4EPOLBTDP1L3MBTL1
SCHEMBL17802293 0.75 ALDH1A1 (0.48) ALDH1A1KDM4EPOLBTDP1L3MBTL1
SCHEMBL17802295 0.75 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBTDP1L3MBTL1
SCHEMBL17802299 0.75 ALDH1A1 (0.53) ALDH1A1KDM4EPOLBMAPTHPGD
SCHEMBL4329645 0.75 MAPT (0.63) ALDH1A1KDM4ETDP1MAPTHPGD
SCHEMBL4329651 0.75 MAPT (0.63) ALDH1A1KDM4ETDP1MAPTHPGD
SCHEMBL5895940 0.74 MAPT (0.52) ALDH1A1KDM4EPOLBTDP1L3MBTL1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3226858-B1 IMIDAZOLE-BASED ANTIMICROBIAL AGENTS PROCOMCURE BIOTECH GMBH (AT) 2021-02-03 EP disclosed
US-10456379-B2 Imidazole-based antimicrobial agents PROCOMCURE BIOTECH GMBH (AT) 2019-10-29 US disclosed
US-10322110-B2 Imidazole-based antimicrobial agents PROCOMCURE BIOTECH GMBH (AT) 2019-06-18 US disclosed
US-10314820-B2 Imidazole-based heterocyclic compounds PROCOMCURE BIOTECH GMBH (AT) 2019-06-11 US disclosed
US-20170368032-A1 Imidazole-Based Antimicrobial Agents PROCOMCURE BIOTECH GMBH (AT) 2017-12-28 US disclosed
US-20170340613-A1 Novel Imidazole-Based Heterocyclic Compounds PROCOMCURE BIOTECH GMBH (AT) 2017-11-30 US disclosed
US-20170334887-A1 Imidazole-Based Antimicrobial Agents PROCOMCURE BIOTECH GMBH (AT) 2017-11-23 US disclosed
EP-3226858-A1 IMIDAZOLE-BASED ANTIMICROBIAL AGENTS Procomcure Biotech GmbH (AT) 2017-10-11 EP disclosed
WO-2016087615-A1 NOVEL IMIDAZOLE-BASED HETEROCYCLIC COMPOUNDS PROCOMCURE BIOTECH GMBH (AT) 2016-06-09 WO disclosed
WO-2016087618-A1 IMIDAZOLE-BASED ANTIMICROBIAL AGENTS PROCOMCURE BIOTECH GMBH (AT) 2016-06-09 WO disclosed
EP-2167464-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) Abbott GmbH & Co. KG (DE) 2010-03-31 EP disclosed
CN-101687790-A Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2(MGLU2 receptor) ABBOTT GMBH & CO KG 2010-03-31 CN disclosed
WO-2008145616-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 RECEPTOR) ABBOTT GMBH & CO. KG (DE) 2008-12-04 WO disclosed
US-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2008-12-04 US disclosed
US-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MARZABADI MOHAMMAD R 2007-02-22 US disclosed
US-7067534-B1 Substituted anilinic piperidines as MCH selective antagonists H. LUNDBECK A/S (DK) 2006-06-27 US disclosed
EP-1411942-A4 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS SYNAPTIC PHARMA CORP (US) 2005-01-26 EP disclosed
EP-1411942-A1 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS Synaptic Pharmaceutical Corporation (US) 2004-04-28 EP disclosed
US-6727264-B1 MELANIN CONCENTRATING HORMONE-1 RECEPTOR ANTAGONISTS; SLEEP, EATING, SEXUAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-27 US disclosed
WO-2003004027-A1 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2003-01-16 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 (8 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-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MCHR1, MCHR2, MC1R ALDH1A1 620/4885KDM4E 1353/4885POLB 4634/4885
US-20170334887-A1 Imidazole-Based Antimicrobial Agents TLR5, NISCH, SLC11A2 ALDH1A1 1629/4885KDM4E 2893/4885POLB 1637/4885
US-10456379-B2 Imidazole-based antimicrobial agents TLR5, NISCH, SLC11A2 ALDH1A1 1629/4885KDM4E 2893/4885POLB 1637/4885
US-10322110-B2 Imidazole-based antimicrobial agents ARG1, SLC11A2, IKZF3 ALDH1A1 1211/4885KDM4E 1072/4885POLB 3215/4885
US-20170368032-A1 Imidazole-Based Antimicrobial Agents TLR5, NISCH, SLC11A2 ALDH1A1 1629/4885KDM4E 2893/4885POLB 1637/4885
US-20170340613-A1 Novel Imidazole-Based Heterocyclic Compounds SLC11A2, MIF, NISCH ALDH1A1 562/4885KDM4E 2876/4885POLB 2166/4885
US-10314820-B2 Imidazole-based heterocyclic compounds MIF, SLC11A2, TLR5 ALDH1A1 370/4885KDM4E 2426/4885POLB 1569/4885
US-20080300260-A1 HETEROCYCLIC COMPOUNDS AS POSITIVE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 (MGLU2 receptor) GRM2, GRIN2C, GRM1 ALDH1A1 3335/4885KDM4E 1894/4885POLB 4225/4885

“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.