SCHEMBL5996015

SCHEMBL5996015

C/N=C(/N(C)N)N1CCN(C=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
RAB9A P51151 1/20 0.32
TFPI2 P48307 1/20 0.30
AKR1C1 Q04828 1/20 0.30

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
SCHEMBL5996019 1.00 TSHR (0.35) TSHRRAB9ATFPI2AKR1C1
SCHEMBL5995016 0.74 TSHR (0.33) TSHRRAB9ATFPI2AKR1C1
SCHEMBL5995932 0.72 CA2 (0.33)
SCHEMBL5995930 0.72 CA2 (0.33)
SCHEMBL14289077 0.69 TSHR (0.33) TSHRRAB9ATFPI2AKR1C1
SCHEMBL5098846 0.69 TSHR (0.33) TSHRRAB9ATFPI2AKR1C1
SCHEMBL13632369 0.67 MAPT (0.55) TSHRRAB9ATFPI2AKR1C1
SCHEMBL14289031 0.67 POLB (0.35) TSHRRAB9ATFPI2AKR1C1
SCHEMBL19446985 0.67 HSD17B10 (0.34) TSHRRAB9ATFPI2AKR1C1
SCHEMBL8205110 0.67 HSD17B10 (0.32) TSHRRAB9A

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 10 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
EP-0973780-B1 ANTIBACTERIAL SUBSTITUTED 7-ACYLAMINO -3-(METHYLHYDRAZONO) METHYL-CEPHALOSPORINS AND INTERMEDIATES BIOCHEMIE GMBH (AT) 2003-07-02 EP 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 TSHR 3472/4885RAB9A 383/4885TFPI2 4374/4885
US-20020115852-A1 Antibacterial substituted 7-acylamino-3-(methylhydrazono) methyl-cephalosporins and intermediates MRPL21, Q6ZSR9, EMG1 TSHR 3472/4885RAB9A 383/4885TFPI2 4374/4885
US-20020091252-A1 Antibacterial substituted 7-acylamino-3-(methylhydrazono) methyl-cephalosporins and intermediates MRPL21, Q6ZSR9, EMG1 TSHR 3472/4885RAB9A 383/4885TFPI2 4374/4885
US-20060223789-A1 Antibacterial substituted 7-acylamino-3-(methylhydrazono) methyl-cephalosporins and intermediates MRPL21, Q6ZSR9, PRMT7 TSHR 1996/4885RAB9A 527/4885TFPI2 4227/4885
US-20040132709-A1 Antibacterial substituted 7-acylamino-3-(methylhydrazono) methyl-cephalosporins and intermediates MRPL21, Q6ZSR9, EMG1 TSHR 3472/4885RAB9A 383/4885TFPI2 4374/4885

“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.