Sugi Predict

Sugi Predict / Compounds / SCHEMBL218818

SCHEMBL218818

SCHEMBL218818

O=C(O)C1=CNc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ AHR P35869 1/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ NPC1 O15118 2/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ HK1 P19367 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ GALK1 P51570 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HKDC1 Q2TB90 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PLAU P00749 1/20 0.36

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
SCHEMBL30298128 1.00 MAPT (0.43) MAPTGAAAHRPDK2NPC1
Dimethylcarbate SCHEMBL5668096 0.91 MAPT (0.37) MAPTGAAAHRPDK2NPC1
SCHEMBL715560 0.84 AHR (0.40) MAPTGAAAHRPDK2NPC1
SCHEMBL29576628 0.84 AHR (0.40) MAPTGAAAHRPDK2NPC1
SCHEMBL19438432 0.84 AHR (0.40) MAPTGAAAHRPDK2NPC1
SCHEMBL2014716 0.81 AHR (0.38) MAPTGAAAHRPDK2NPC1
SCHEMBL18229437 0.80 HPGD (0.40) MAPTGAANPC1ALOX15KDM4E
SCHEMBL30263055 0.80 AHR (0.37) MAPTGAAAHRPDK2NPC1
SCHEMBL7542864 0.76 KEAP1 (0.35) KDM4EMAPK1HSD17B10ALDH1A1CYP1A2
SCHEMBL29008018 0.76 TSHR (0.45) MAPTGAANPC1ALOX15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109232530-A A kind of sitafloxacin preparation method 苏州东瑞制药有限公司 2019-01-18 — — CN claimed
EP-0357047-B1 Spiro compounds DAIICHI SEIYAKU CO (JP) 1993-11-03 — — EP claimed
EP-4436968-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Ventus Therapeutics U.S., Inc. (US) 2024-10-02 — — EP disclosed
US-11945800-B1 1-cyclopropyl-6-fluoro-4-oxo-7-(4-((5-oxo-2-phenyl-4-(quinolin-2-ylmethylene)-4,5-dihydro-1H-imidazol-1-yl)methyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid as an anti-inflammatory and anticancer compound King Faisal University (SA) 2024-04-02 — — US disclosed
US-11884658-B1 1-cyclopropyl-6-fluoro-4-oxo-7-(4-((2-thioxobenzo[d]thiazol-3(2H)-yl)methyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid as an antimicrobial compound King Faisal University (SA) 2024-01-30 — — US disclosed
WO-2023218472-A1 AN AQUEOUS OPHTHALMIC SOLUTION OF NSAIDS AND FLUOROQUINOLONE ANTIBIOTIC AND PROCESS OF PREPARATION THEREOF AKUMS DRUGS & PHARMACEUTICALS LIMITED (IN) 2023-11-16 — — WO disclosed
WO-2023081441-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF VENTUS THERAPEUTICS U.S., INC. (US) 2023-05-11 — — WO disclosed
CN-110114366-A Two banks quinolone conjugate and application thereof 百奥维骨有限责任公司 2019-08-09 — — CN disclosed
CN-108929323-A A kind of piperazine Nino peace derivative and its preparation method and application 中国海洋大学 2018-12-04 — — CN disclosed
CN-108676004-A A kind of four cyclics and its preparation method and application containing quinolinone 中国海洋大学 2018-10-19 — — CN disclosed
CN-108601840-A Combination therapy of PD-1 signaling inhibitors 国立大学法人京都大学 2018-09-28 — — CN disclosed
WO-2005019224-A2 NOVEL ANTIINFECTIVE COMPOUNDS CADILA HEALTHCARE LIMITED (IN) 2005-03-03 — — WO disclosed
EP-1230235-A1 COMPOUNDS WITH ANTIBACTERIAL AND ANTIPARASITIC PROPERTIES New Pharma Research Sweden AB (SE) 2002-08-14 — — EP disclosed
WO-2001036408-A1 COMPOUNDS WITH ANTIBACTERIAL AND ANTIPARASITIC PROPERTIES NEW PHARMA RESEARCH SWEDEN AB (SE) 2001-05-25 — — WO disclosed
EP-0831869-A4 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS IN (US) 1999-04-21 — — EP disclosed
EP-0831869-A1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS Elizanor Biopharmaceuticals, Inc. (US) 1998-04-01 — — EP disclosed
WO-1996040190-A1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS, INC. (US) 1996-12-19 — — WO disclosed
US-4472579-A REACTING A PIPERAZINE WITH A CHLORO QUINOLINECARBOXYLIC ACID ESTER, HYDROLYSIS KYORIN SEIYAKU KABUSHIKI KAISHA (JP) 1984-09-18 — — US disclosed
US-4292317-A BACTERICIDES FOR GRAM NEGATIVE AND -POSITIVE BACTERIA; ANIMAL GROWTH REGULATORS LABORATORIE ROGER BELLON (FR) 1981-09-29 — — US disclosed
US-4292317-A BACTERICIDES FOR GRAM NEGATIVE AND -POSITIVE BACTERIA; ANIMAL GROWTH REGULATORS LABORATORIE ROGER BELLON (FR) 1981-09-29 — — US 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 (2 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-11884658-B1 1-cyclopropyl-6-fluoro-4-oxo-7-(4-((2-thioxobenzo[d]thiazol-3(2H)-yl)methyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid as an antimicrobial compound TLR1, TUBB, CASP1 MAPT 2979/4885GAA 738/4885AHR 1139/4885
US-11945800-B1 1-cyclopropyl-6-fluoro-4-oxo-7-(4-((5-oxo-2-phenyl-4-(quinolin-2-ylmethylene)-4,5-dihydro-1H-imidazol-1-yl)methyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid as an anti-inflammatory and anticancer compound NFKBIA, IL1A, CASP1 MAPT 3024/4885GAA 2002/4885AHR 799/4885

“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.