SCHEMBL6278540

SCHEMBL6278540

NC(=O)C(=NO)c1csc(N)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GABRA5 P31644 1/20 0.40
GABRB2 P47870 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
ABCC4 O15439 1/20 0.39
CNR1 P21554 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
KDM4E B2RXH2 2/20 0.37
KDM4B O94953 1/20 0.36
KDM5C P41229 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
NOS1 P29475 2/20 0.35

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
SCHEMBL5907164 1.00 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL8626744 0.98 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL9615934 0.86 MAPT (0.45) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL1405818 0.86 MAPT (0.45) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL1405817 0.86 MAPT (0.45) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL1387512 0.84 MAPT (0.44) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL4003166 0.84 MAPT (0.44) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL8057318 0.84 MAPT (0.44) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL27807523 0.84 MAPT (0.44) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL27730076 0.84 MAPT (0.44) ALDH1A1MEN1KMT2AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409164-B1 Phenacylpyridiniothiocephalosporins SHIONOGI & CO (JP) 1996-06-05 EP claimed
US-5134138-A ANTIBIOTICS SHIONOGI & CO., LTD. (JP) 1992-07-28 US claimed
EP-0409164-A2 Phenacylpyridiniothiocephalosporins SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1991-01-23 EP claimed
US-4978613-A Beta-lactamase assay employing chromogenic precipitating substrates ABBOTT LABORATORIES (US) 1990-12-18 US claimed
CN-115612114-B Copolymer membrane and method for enzymatic self-assembly synthesis and application thereof 中国科学院天津工业生物技术研究所 2024-02-20 CN disclosed
CN-115612403-B Self-assembled strong-adhesion copolymer film, coating method and application 中国科学院天津工业生物技术研究所 2023-12-01 CN disclosed
US-6906187-B2 Manufacture of cefalosporins and intermediates MIAT S.P.A. (IT) 2005-06-14 US disclosed
US-20040242863-A1 Preparation of cefalosporins intermediates and conversion of said intermediates into active compound precursors MIAT S.P.A. (IT) 2004-12-02 US disclosed
US-20040176590-A1 Manufacture of cefalosporins and intermediates MIAT S.P.A. (IT) 2004-09-09 US disclosed
US-5504076-A Cephalosporin compounds PFIZER INC. (US) 1996-04-02 US disclosed
EP-0641797-A1 Cephem derivatives and antimicrobial agents containing the same KATAYAMA SEIYAKUSYO CO. Ltd. (JP) 1995-03-08 EP disclosed
CN-1021910-C LANKACIDIN DERIVATIVES AND PRODUCTION THEREOF TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-08-25 CN disclosed
US-4851422-A Antibiotic 2-(3-oxo-2-isoxazolidinyl)-5-oxo-2-tetrahydrofuran-carboxylates TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-07-25 US disclosed
EP-0271829-A2 Delta-hydroxy-beta-lysine derivatives and their production Takeda Chemical Industries, Ltd. (JP) 1988-06-22 EP disclosed
EP-0249909-A1 Tricyclic penam compounds, their production and their use Takeda Chemical Industries, Ltd. (JP) 1987-12-23 EP disclosed
EP-0250096-A1 Isoxazolone derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-12-23 EP disclosed
EP-0219923-A1 Antibiotic derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-04-29 EP disclosed
EP-0191989-A1 Antibiotic isoxazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-08-27 EP disclosed
EP-0002605-B1 CEPHALOSPORIN COMPOUNDS AND FORMULATIONS CONTAINING THEM FOR USE IN THE TREATMENT OF BACTERIAL INFECTIONS AND THE PREPARATION OF THE CEPHALOSPORIN COMPOUNDS ELI LILLY AND COMPANY (US) 1981-12-30 EP disclosed
US-4200745-A 7[2-(2-Aminothiazol-4-yl)-2-alkoxyimino]acetamido 3[4-alkyl-5-oxo-6-hydroxy-3,4 dihydro 1,2,4-triazin 3-yl]thio methyl cephalosporins ELI LILLY AND COMPANY (US) 1980-04-29 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-20040242863-A1 Preparation of cefalosporins intermediates and conversion of said intermediates into active compound precursors PCMT1, CYP2S1, DAO ALDH1A1 1991/4885MEN1 2745/4885KMT2A 610/4885
US-20040176590-A1 Manufacture of cefalosporins and intermediates SULT1E1, CYP2F1, COASY ALDH1A1 604/4885MEN1 1375/4885KMT2A 1845/4885

“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.