SCHEMBL5997632

SCHEMBL5997632

NC(=S)N1CCN(C(N)=S)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.44
CA1 P00915 6/20 0.44
CA2 P00918 6/20 0.44
CA9 Q16790 6/20 0.44
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
ATR Q13535 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
NFKB1 P19838 1/20 0.35
MAPK1 P28482 1/20 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
SCHEMBL4421353 1.00
SCHEMBL1640600 0.86
SCHEMBL1126889 0.86
SCHEMBL13158245 0.85 CA12 (0.35) CA12CA1CA2CA9
SCHEMBL14533199 0.85 CA12 (0.35) CA12CA1CA2CA9
SCHEMBL501982 0.85 MGLL (0.54) CA12CA1CA2CA9ALDH1A1
SCHEMBL8112681 0.83 CA1 (0.52) CA12CA1CA2CA9ALDH1A1
SCHEMBL16155543 0.83 CA1 (0.52) CA12CA1CA2CA9ALDH1A1
SCHEMBL1259911 0.83
SCHEMBL1458895 0.83 CA12 (0.33) CA12CA1CA2CA9ALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060223789-A1 Antibacterial substituted 7-acylamino-3-(methylhydrazono) methyl-cephalosporins and intermediates NABRIVA THERAPEUTICS AG (AT) 2006-10-05 US disclosed
US-20040132709-A1 Antibacterial substituted 7-acylamino-3-(methylhydrazono) methyl-cephalosporins and intermediates ASCHER GERD (AT) 2004-07-08 US disclosed
US-6693095-B2 7-(((5-AMINO-1,2,4-THIADIAZOL-3-YL)-(Z)-(FLUORMETHOXYIMINO) -ACETYL)AMINO)-3(E)-((IMINO-1-PIPERAZINYLMETHYL)-METHYLHYDRAZONO)METHYL-3 -CEPHEM-4-CARBOXYLIC ACID TRIHYDROCHLORIDE FOR EXAMPLE BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 2004-02-17 US disclosed
US-20030114665-A1 Antibacterial substituted 7-acylamino-3-(methylhydrazono) methyl-cephalosporins and intermediates ASCHER GERD (AT) 2003-06-19 US disclosed
EP-1300408-A1 Antibacterial substituted 7-acylamino-3-(methylhydrazono)methyl-cephalosporins and intermediates BIOCHEMIE Gesellschaft m.b.H. (AT) 2003-04-09 EP disclosed
US-20020115852-A1 Antibacterial substituted 7-acylamino-3-(methylhydrazono) methyl-cephalosporins and intermediates ASCHER GERD (AT) 2002-08-22 US disclosed
US-20020091252-A1 Antibacterial substituted 7-acylamino-3-(methylhydrazono) methyl-cephalosporins and intermediates NABRIVA THERAPEUTICS AG (AT) 2002-07-11 US disclosed
EP-0973780-A1 ANTIBACTERIAL SUBSTITUTED 7-ACYLAMINO -3-(METHYLHYDRAZONO) METHYL-CEPHALOSPORINS AND INTERMEDIATES BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 2000-01-26 EP disclosed
WO-1998043981-A1 ANTIBACTERIAL SUBSTITUTED 7-ACYLAMINO-3-(METHYLHYDRAZONO)METHYL -CEPHALOSPORINS AND INTERMEDIATES BIOCHEMIE GESELLSCHAFT MBH (AT) 1998-10-08 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 (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-20030114665-A1 Antibacterial substituted 7-acylamino-3-(methylhydrazono) methyl-cephalosporins and intermediates MRPL21, Q6ZSR9, EMG1 CA12 4665/4885CA1 4759/4885CA2 4134/4885
US-20020115852-A1 Antibacterial substituted 7-acylamino-3-(methylhydrazono) methyl-cephalosporins and intermediates MRPL21, Q6ZSR9, EMG1 CA12 4665/4885CA1 4759/4885CA2 4134/4885
US-20020091252-A1 Antibacterial substituted 7-acylamino-3-(methylhydrazono) methyl-cephalosporins and intermediates MRPL21, Q6ZSR9, EMG1 CA12 4665/4885CA1 4759/4885CA2 4134/4885
US-20060223789-A1 Antibacterial substituted 7-acylamino-3-(methylhydrazono) methyl-cephalosporins and intermediates MRPL21, Q6ZSR9, PRMT7 CA12 4718/4885CA1 4858/4885CA2 4341/4885
US-20040132709-A1 Antibacterial substituted 7-acylamino-3-(methylhydrazono) methyl-cephalosporins and intermediates MRPL21, Q6ZSR9, EMG1 CA12 4665/4885CA1 4759/4885CA2 4134/4885

“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.