SCHEMBL3634969

SCHEMBL3634969

O=Cc1ccc(-c2ccccc2OC(F)(F)F)o1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.68
L3MBTL1 Q9Y468 3/20 0.58
KDM4E B2RXH2 8/20 0.50
POLB P06746 3/20 0.50
LMNA P02545 2/20 0.50
EP300 Q09472 1/20 0.47
MAPT P10636 5/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RECQL P46063 2/20 0.41
PKM P14618 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
PIK3CG P48736 1/20 0.39
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL31358875 0.82 ALDH1A1 (0.61) ALDH1A1L3MBTL1KDM4EPOLBLMNA
SCHEMBL3617156 0.81 ALDH1A1 (0.63) ALDH1A1L3MBTL1KDM4EPOLBLMNA
SCHEMBL3617154 0.81 ALDH1A1 (0.63) ALDH1A1L3MBTL1KDM4EPOLBLMNA
SCHEMBL2551317 0.80 KDM4E (0.66) ALDH1A1L3MBTL1KDM4EPOLBLMNA
SCHEMBL3038784 0.77 KDM4E (0.55) ALDH1A1L3MBTL1KDM4EPOLBLMNA
SCHEMBL2158430 0.76 NPFFR1 (0.59) ALDH1A1L3MBTL1KDM4EPOLBLMNA
SCHEMBL10028052 0.76 ALDH1A1 (0.62) ALDH1A1L3MBTL1KDM4EEP300MAPT
SCHEMBL6010447 0.76 ALDH1A1 (0.52) ALDH1A1L3MBTL1KDM4EPOLBLMNA
SCHEMBL6009527 0.76 ALDH1A1 (0.59) ALDH1A1L3MBTL1KDM4EPOLBLMNA
SCHEMBL29941707 0.75 ALDH1A1 (0.77) ALDH1A1L3MBTL1KDM4EMAPTHPGD

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 30 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-2016087616-A1 IMIDAZOLE-BASED ANTIMICROBIAL AGENTS PROCOMCURE BIOTECH GMBH (AT) 2016-06-09 WO disclosed
WO-2016087615-A1 NOVEL IMIDAZOLE-BASED HETEROCYCLIC COMPOUNDS PROCOMCURE BIOTECH GMBH (AT) 2016-06-09 WO disclosed
EP-1425015-A4 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-12-15 EP disclosed
US-6825208-B2 SELECTIVE INHIBITORS OF SERINE PROTEASE ENZYMES, ESPECIALLY FACTOR VIIA; MODULATION OF THE COAGULATION CASCADE. BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-11-30 US disclosed
EP-1425015-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-09 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
US-20030225110-A1 Tetrahydroquinoline derivatives as antithrombotic agents BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-12-04 US disclosed
WO-2003015715-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-27 WO disclosed
WO-2003004027-A1 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2003-01-16 WO disclosed
WO-2000032598-A9 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY DISEASES UTILIZING INHIBITORS OF TUMOR NECROSIS FACTOR ACTIVITY STRUCTURAL BIOINFORMATICS INC (US) 2000-11-30 WO disclosed
WO-2000032598-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY DISEASES UTILIZING INHIBITORS OF TUMOR NECROSIS FACTOR ACTIVITY STRUCTURAL BIOINFORMATICS INC. (US) 2000-06-08 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 (7 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-20030225110-A1 Tetrahydroquinoline derivatives as antithrombotic agents TFPI, TFPI2, SERPINC1 ALDH1A1 2602/4885L3MBTL1 4502/4885KDM4E 2375/4885
US-20170334887-A1 Imidazole-Based Antimicrobial Agents TLR5, NISCH, SLC11A2 ALDH1A1 1629/4885L3MBTL1 2175/4885KDM4E 2893/4885
US-10456379-B2 Imidazole-based antimicrobial agents TLR5, NISCH, SLC11A2 ALDH1A1 1629/4885L3MBTL1 2175/4885KDM4E 2893/4885
US-10322110-B2 Imidazole-based antimicrobial agents ARG1, SLC11A2, IKZF3 ALDH1A1 1211/4885L3MBTL1 1528/4885KDM4E 1072/4885
US-20170368032-A1 Imidazole-Based Antimicrobial Agents TLR5, NISCH, SLC11A2 ALDH1A1 1629/4885L3MBTL1 2175/4885KDM4E 2893/4885
US-20170340613-A1 Novel Imidazole-Based Heterocyclic Compounds SLC11A2, MIF, NISCH ALDH1A1 562/4885L3MBTL1 4155/4885KDM4E 2876/4885
US-10314820-B2 Imidazole-based heterocyclic compounds MIF, SLC11A2, TLR5 ALDH1A1 370/4885L3MBTL1 4084/4885KDM4E 2426/4885

“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.