SCHEMBL725375

SCHEMBL725375

C=CC(=O)N(C)Cc1oc2ccccc2c1C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNH2 Q12809 1/20 0.40
CYP2C19 P33261 1/20 0.40
EGFR P00533 1/20 0.39
ITK Q08881 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.38
HTT P42858 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
Hydrochloric Acid SCHEMBL4794398 0.99 HCRTR1 (0.41) HCRTR1RAB9ANPC1SMN1; SMN2KCNH2
Trifluoroacetic Acid SCHEMBL4777187 0.92 HCRTR1 (0.39) HCRTR1RAB9ANPC1SMN1; SMN2KCNH2
SCHEMBL27238873 0.90 HCRTR1 (0.40) HCRTR1RAB9ANPC1SMN1; SMN2CYP2C19
SCHEMBL3975080 0.87 RAB9A (0.42) HCRTR1RAB9ANPC1SMN1; SMN2KCNH2
SCHEMBL26167918 0.85 LMNA (0.38) HCRTR1RAB9ANPC1SMN1; SMN2EGFR
SCHEMBL16572849 0.85 HCRTR1 (0.37) HCRTR1RAB9ANPC1SMN1; SMN2KCNH2
SCHEMBL1252616 0.84 CYP2C19 (0.43) CYP2C19KMT2A
SCHEMBL15999427 0.84 PKM (0.38) RAB9ANPC1KMT2AL3MBTL1PKM
SCHEMBL15999473 0.84 PKM (0.48) RAB9ANPC1KCNH2KMT2AL3MBTL1
SCHEMBL23532095 0.83 SLC22A12 (0.42) RAB9ASMN1; SMN2CYP2C19KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115151541-B Novel compounds and uses thereof 德彪药业国际股份公司 2024-06-25 CN claimed
EP-4077324-A1 NOVEL COMPOUNDS AND THEIR USE Debiopharm International SA (CH) 2022-10-26 EP claimed
CN-115151541-A Novel compound and use thereof 德彪药业国际股份公司 2022-10-04 CN claimed
EP-1973902-A2 3-HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS Affinium Pharmaceuticals, Inc. (CA) 2008-10-01 EP claimed
WO-2007067416-A2 HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-06-14 WO claimed
US-12545672-B2 Antibiotic compounds, methods of manufacturing the same, pharmaceutical compositions containing the same and uses thereof DEBIOPHARM INTERNATIONAL S.A. (CH) 2026-02-10 US disclosed
US-12473283-B2 Compounds and their use DEBIOPHARM INTERNATIONAL S.A. (CH) 2025-11-18 US disclosed
US-20250270197-A1 RIBOCIL C ANTIBIOTICS EFFECTIVE FOR GRAM-NEGATIVE PATHOGENS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2025-08-28 US disclosed
WO-2025078209-A1 ANTIBIOTIC COMPOUNDS FOR TREATING BACTERIAL INFECTIONS DEBIOPHARM INTERNATIONAL S.A. (CH) 2025-04-17 WO disclosed
US-12180198-B2 Ribocil C antibiotics effective for Gram-negative pathogens THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2024-12-31 US disclosed
EP-3880675-B1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INT SA (CH) 2024-11-06 EP disclosed
CN-113272302-B Antibiotic compound, method for producing same, pharmaceutical composition containing same, and use thereof 德彪药业国际股份公司 2024-08-13 CN disclosed
WO-2007067416-A2 HETEROCYCLYLACRYLAMIDE COMPOUNDS AS FABI INHIBITORS AND ANTIBACTERIAL AGENTS AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-06-14 WO disclosed
WO-2007053131-A2 ACRYLAMIDE DERIVATIVES AS ANTIBIOTIC AGENTS AFFINIUM PHARMACEUTICALS, INC. (CA) 2007-05-10 WO disclosed
US-20060183908-A1 inhibitors of bacterial enzymes such as (E)-3-(3,3-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido [2,3-e][1,4]diazepin-7-yl)-N-methyl-N-(3-methyl-benzofuran-2-ylmethyl)acrylamide, used as antibiotics AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-08-17 US disclosed
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-06-29 US disclosed
EP-1608377-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS Affinium Pharmaceuticals, Inc. (CA) 2005-12-28 EP disclosed
EP-1575951-A1 HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY Affinium Pharmaceuticals, Inc. (CA) 2005-09-21 EP disclosed
WO-2004082586-A2 PHAMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARMACEUTICALS, INC. (US) 2004-09-30 WO disclosed
WO-2004052890-A1 HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY AFFINIUM PHARMACEUTICALS, INC. (CA) 2004-06-24 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 (6 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-20060183908-A1 inhibitors of bacterial enzymes such as (E)-3-(3,3-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido [2,3-e][1,4]diazepin-7-yl)-N-methyl-N-(3-methyl-benzofuran-2-ylmethyl)acrylamide, used as antibiotics AADAC, AZI2, DCXR HCRTR1 4418/4885RAB9A 4371/4885NPC1 4765/4885
US-12545672-B2 Antibiotic compounds, methods of manufacturing the same, pharmaceutical compositions containing the same and uses thereof MRPL21, EMG1, RRS1 HCRTR1 2025/4885RAB9A 345/4885NPC1 389/4885
US-20250270197-A1 RIBOCIL C ANTIBIOTICS EFFECTIVE FOR GRAM-NEGATIVE PATHOGENS RPSA, RPS5, RPS2 HCRTR1 4760/4885RAB9A 1428/4885NPC1 4367/4885
US-12180198-B2 Ribocil C antibiotics effective for Gram-negative pathogens RPSA, RPS5, RPS2 HCRTR1 4760/4885RAB9A 1428/4885NPC1 4367/4885
US-20060142265-A1 Compositions comprising multiple bioactive agents, and methods of using the same DBI, SERPINB1, CTSF HCRTR1 4634/4885RAB9A 2755/4885NPC1 317/4885
US-12473283-B2 Compounds and their use LSS, PGLS, LDHB HCRTR1 4706/4885RAB9A 1576/4885NPC1 3338/4885

“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.