SCHEMBL360936

SCHEMBL360936

Nc1ccccc1C[C]=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.41
ALOX15 P16050 2/20 0.41
CYP3A4 P08684 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AR P10275 1/20 0.36
GAA P10253 1/20 0.34
POLB P06746 1/20 0.34
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
TSHR P16473 2/20 0.33
TAAR1 Q96RJ0 2/20 0.33
NCOR2 Q9Y618 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC10 Q969S8 1/20 0.33

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
SCHEMBL11480751 0.82 GABRA1 (0.36) ALDH1A1L3MBTL1TAAR1HPGDLMNA
SCHEMBL3244838 0.79 SIGMAR1 (0.39) FDPSALOX15CYP3A4CASP1CASP7
SCHEMBL5983914 0.77 FDPS (0.39) FDPSALOX15CYP3A4CASP1CASP7
SCHEMBL397554 0.76 ALDH1A1 (0.47) FDPSALOX15CYP3A4CASP1CASP7
SCHEMBL30154647 0.76 ALDH1A1 (0.47) FDPSALOX15CYP3A4CASP1CASP7
SCHEMBL6875423 0.76 DPP4 (0.46) SMN1; SMN2TAAR1KDM4E
SCHEMBL3002978 0.76 ALOX15 (0.41) FDPSALOX15CYP3A4CASP1CASP7
Hydrochloric Acid SCHEMBL1827284 0.74 ALDH1A1 (0.46) FDPSALOX15CYP3A4CASP1CASP7
Ammonia Solution, Strong SCHEMBL28847189 0.74 ALDH1A1 (0.46) FDPSALOX15CYP3A4CASP1CASP7
SCHEMBL29565534 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024091437-A1 EXATECAN-DERIVED ADC LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-05-02 WO claimed
US-7868135-B2 Compositions of lipopeptide antibiotic derivatives and methods of use thereof BIOWEST THERAPEUTICS INC. (CA) 2011-01-11 US claimed
EP-2147925-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2010-01-27 EP claimed
US-20070225291-A1 Substituted Pyrazinone Compounds for the Treatment of Inflammation PFIZER INC. 2007-09-27 US claimed
EP-1678164-B1 SUBSTITUTED PYRAZINONE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORP (US) 2007-04-11 EP claimed
EP-1678146-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2006-07-12 EP claimed
EP-1678164-A1 SUBSTITUTED PYRAZINONE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2006-07-12 EP claimed
EP-1656390-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2006-05-17 EP claimed
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US claimed
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2005-07-14 US claimed
WO-2005040133-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-05-06 WO claimed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO claimed
WO-2005035527-A1 SUBSTITUTED PYRAZINONE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-21 WO claimed
WO-2005000878-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2005-01-06 WO claimed
WO-2024091437-A1 EXATECAN-DERIVED ADC LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-05-02 WO disclosed
US-20230331724-A1 PROCESSES FOR PREPARING A DIAZABICYCLOOCTANE COMPOUND MEIJI SEIKA PHARMA CO., LTD. (JP) 2023-10-19 US disclosed
US-11731971-B2 Processes for preparing a diazabicyclooctane compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2023-08-22 US disclosed
US-4159372-A Process for preparing cephalosporin esters in the presence of liquid sulfur dioxide MEIJI SEIKA KAISHA LTD. (JP) 1979-06-26 US disclosed
US-4042472-A Electrolytic process for 7-methoxy-3-exomethylenecepham compounds ELI LILLY AND COMPANY (US) 1977-08-16 US disclosed
US-3985764-A REACTING CHLORINATED ESTERS OF ANHYDROBENZYLPENICILLIN WITH ALUMINA OR SILICA GEL QUEEN'S UNIVERSITY (CA) 1976-10-12 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 (5 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-11731971-B2 Processes for preparing a diazabicyclooctane compound FN1, BMP1, AZI2 FDPS 946/4885ALOX15 1150/4885CYP3A4 1389/4885
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 FDPS 774/4885ALOX15 219/4885CYP3A4 4473/4885
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 FDPS 2482/4885ALOX15 1656/4885CYP3A4 64/4885
US-20070225291-A1 Substituted Pyrazinone Compounds for the Treatment of Inflammation CNKSR1, IL1RN, CHUK FDPS 1625/4885ALOX15 1653/4885CYP3A4 1310/4885
US-20230331724-A1 PROCESSES FOR PREPARING A DIAZABICYCLOOCTANE COMPOUND FN1, BMP1, AZI2 FDPS 946/4885ALOX15 1150/4885CYP3A4 1389/4885

“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.