SCHEMBL5632031

SCHEMBL5632031

CC(CO)Nc1nc(Nc2ccccc2)nc(Nc2ccc(/C=C/c3ccc(Nc4nc(Nc5ccccc5)nc(NC(C)CO)n4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 12/20 0.57
NPSR1 Q6W5P4 1/20 0.42
ENPP2 Q13822 1/20 0.41
IDH2 P48735 1/20 0.39
CA2 P00918 2/20 0.39
CDK1 P06493 2/20 0.39
CDK4 P11802 2/20 0.39
CDK2 P24941 2/20 0.39
KDR P35968 2/20 0.39
CDK7 P50613 2/20 0.39
CDK9 P50750 2/20 0.39
CCNT1 O60563 1/20 0.39
CCND1 P24385 1/20 0.39
CCNH P51946 1/20 0.39
MEN1 O00255 1/20 0.38
GPR39 O43194 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNE1 P24864 1/20 0.38

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
SCHEMBL30448563 1.00 KCNH3 (0.57) KCNH3NPSR1ENPP2IDH2CA2
SCHEMBL793178 1.00 KCNH3 (0.57) KCNH3NPSR1ENPP2IDH2CA2
SCHEMBL893019 0.99 KCNH3 (0.56) KCNH3NPSR1ENPP2IDH2CA2
SCHEMBL893017 0.90 KCNH3 (0.55) KCNH3NPSR1CA2CDK1CDK4
SCHEMBL29885454 0.90 KCNH3 (0.55) KCNH3NPSR1CA2CDK1CDK4
SCHEMBL893015 0.90 KCNH3 (0.55) KCNH3NPSR1CA2CDK1CDK4
SCHEMBL11618474 0.88 KCNH3 (0.46) KCNH3ENPP2CA2CDK2
SCHEMBL16374878 0.88 KCNH3 (0.46) KCNH3ENPP2CA2CDK2
SCHEMBL168451 0.87 ENPP2 (0.49) ENPP2IDH2CA2CDK2MEN1
SCHEMBL11625123 0.87 ENPP2 (0.49) ENPP2IDH2CA2CDK2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0578872-B1 Detergent compositions PROCTER & GAMBLE (US) 1998-10-14 EP claimed
US-11624059-B2 Detergent compositions comprising GH9 endoglucanase variants II HENKEL AG & CO. KGAA (DE) 2023-04-11 US disclosed
US-20200239815-A1 DETERGENT COMPOSITIONS COMPRISING GH9 ENDOGLUCANASE VARIANTS II HENKEL AG & CO. KGAA (DE) 2020-07-30 US disclosed
US-7172891-B2 Polypeptides having xyloglucanase activity and nucleic acids encoding same NOVOZYMES, INC. (US) 2007-02-06 US disclosed
US-20060110797-A1 Polypeptides having xyloglucanase activity and nucleic acids encoding same NOVOZYMES, INC. (US) 2006-05-25 US disclosed
US-7033811-B2 Polypeptides having xyloglucanase activity and nucleic acids encoding same NOVOZYMES, INC. (US) 2006-04-25 US disclosed
EP-1499629-A4 POLYPEPTIDES HAVING XYLOGLUCANASE ACTIVITY AND NUCLEIC ACIDS ENCODING SAME NOVOZYMES INC (US) 2006-03-29 EP disclosed
EP-1499629-A2 POLYPEPTIDES HAVING XYLOGLUCANASE ACTIVITY AND NUCLEIC ACIDS ENCODING SAME Novozymes Biotech, Inc. (US) 2005-01-26 EP disclosed
US-20040067569-A1 Polypeptides having xyloglucanase activity and nucleic acids encoding same NOVOZYMES BIOTECH, INC. 2004-04-08 US disclosed
WO-2003089598-A2 POLYPEPTIDES HAVING XYLOGLUCANASE ACTIVITY AND NUCLEIC ACIDS ENCODING SAME NOVOZYMES BIOTECH, INC (US) 2003-10-30 WO disclosed
EP-0051986-B1 DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1985-05-29 EP 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-20040067569-A1 Polypeptides having xyloglucanase activity and nucleic acids encoding same ENGASE, RNGTT, RNASE1 KCNH3 4401/4885NPSR1 2963/4885ENPP2 861/4885
US-20060110797-A1 Polypeptides having xyloglucanase activity and nucleic acids encoding same ENGASE, RNGTT, RNASE1 KCNH3 4401/4885NPSR1 2963/4885ENPP2 861/4885

“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.