SCHEMBL4003166

SCHEMBL4003166

[NH]C(=O)C(=NO)c1csc(N)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GABRA5 P31644 1/20 0.39
GABRB2 P47870 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
ABCC4 O15439 1/20 0.38
CNR1 P21554 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NOS1 P29475 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
USP2 O75604 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
SCHEMBL1387512 1.00 MAPT (0.44) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL1405817 0.84 MAPT (0.45) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL9615934 0.84 MAPT (0.45) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL1405818 0.84 MAPT (0.45) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL5907164 0.84 ALDH1A1 (0.45) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL6278540 0.84 ALDH1A1 (0.45) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL8057318 0.83 MAPT (0.44) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL27730076 0.83 MAPT (0.44) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL27807523 0.83 MAPT (0.44) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL16230542 0.83 MAPT (0.47) MAPTALDH1A1MEN1KMT2ANPC1

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 38 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
US-7511135-B2 Method for manufacture of ceftiofur LUPIN LIMITED (IN) 2009-03-31 US disclosed
US-7470786-B2 Method for manufacture of ceftriaxone sodium LUPIN LIMITED (IN) 2008-12-30 US disclosed
US-20080207912-A1 Method for manufacture of ceftiofur LUPIN LIMITED 2008-08-28 US disclosed
US-20080200670-A1 METHOD FOR THE MANUFACTURE OF CEFTRIAXONE SODIUM LUPIN LIMITED (RESEARCH PARK) (IN) 2008-08-21 US disclosed
EP-1556388-B1 A METHOD FOR MANUFACTURE OF CEFTIOFUR LUPIN LTD (IN) 2007-09-19 EP disclosed
US-20070049749-A1 Method for Manufacture of Ceftriaxone Sodium LUPIN LIMITED (RESEARCH PARK) (IN) 2007-03-01 US disclosed
US-20070015917-A1 Method For Manufacture of Ceftriaxone Sodium LUPIN LIMITED (RESEARCH PARK) (IN) 2007-01-18 US disclosed
US-20060149054-A1 Method for manufacture of ceftiofur LUPIN LIMITED (IN) 2006-07-06 US disclosed
US-4837318-A Carbonate substituted monobactams as antibiotics THE UPJOHN COMPANY (US) 1989-06-06 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 (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-20080207912-A1 Method for manufacture of ceftiofur APEH, COASY, PCMT1 MAPT 864/4885ALDH1A1 475/4885MEN1 2882/4885
US-20060149054-A1 Method for manufacture of ceftiofur APEH, COASY, PCMT1 MAPT 806/4885ALDH1A1 615/4885MEN1 3040/4885
US-20070049749-A1 Method for Manufacture of Ceftriaxone Sodium TREH, CHAT, MRPL21 MAPT 1150/4885ALDH1A1 1915/4885MEN1 1624/4885
US-20070015917-A1 Method For Manufacture of Ceftriaxone Sodium TREH, CHAT, MRPL21 MAPT 1150/4885ALDH1A1 1915/4885MEN1 1624/4885
US-20080200670-A1 METHOD FOR THE MANUFACTURE OF CEFTRIAXONE SODIUM CHAT, TREH, MRPL21 MAPT 949/4885ALDH1A1 1869/4885MEN1 1489/4885

“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.