SCHEMBL5033894

SCHEMBL5033894

Clc1nc(Cl)nc(NC2CCCCCC2)n1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.76
RAB9A P51151 1/20 0.59
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 2/20 0.46
PTGS2 P35354 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MEN1 O00255 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CTSK P43235 1/20 0.41
NPY5R Q15761 1/20 0.41

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
SCHEMBL21260553 1.00 PDE4A (0.76) PDE4ARAB9AKDM4EGAAKMT2A
SCHEMBL18163295 1.00 PDE4A (0.76) PDE4ARAB9AKDM4EGAAKMT2A
SCHEMBL39294 1.00 PDE4A (0.76) PDE4ARAB9AKDM4EGAAKMT2A
SCHEMBL21260552 1.00 PDE4A (0.76) PDE4ARAB9AKDM4EGAAKMT2A
SCHEMBL3352486 0.98 PDE4A (0.72) PDE4ARAB9AKDM4EGAAKMT2A
SCHEMBL18557113 0.96 PDE4A (0.82) PDE4ARAB9AKDM4EGAAKMT2A
SCHEMBL18557112 0.96 PDE4A (0.82) PDE4ARAB9AKDM4EGAAKMT2A
SCHEMBL18760598 0.96 PDE4A (0.82) PDE4ARAB9AKDM4EGAAKMT2A
SCHEMBL20402878 0.96 PDE4A (0.82) PDE4ARAB9AKDM4EGAAKMT2A
SCHEMBL11794474 0.96 PDE4A (0.82) PDE4ARAB9AKDM4EGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335770-B2 Triazine compounds and their analogs, compositions, and methods REDDY U5 THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
US-7335770-B2 Triazine compounds and their analogs, compositions, and methods REDDY U5 THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
US-7335770-B2 Triazine compounds and their analogs, compositions, and methods REDDY U5 THERAPEUTICS, INC. (US) 2008-02-26 US disclosed
US-20050227983-A1 Triazine compounds and their analogs, compositions, and methods DR. REDDY'S LABORATORIES LTD. (IN) 2005-10-13 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 (1 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-20050227983-A1 Triazine compounds and their analogs, compositions, and methods MYLK, SMAD3, GID4 PDE4A 1438/4885RAB9A 3708/4885KDM4E 1233/4885

“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.