SCHEMBL2674403

SCHEMBL2674403

CC(N1CCCCC1)N1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
CHKA P35790 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
HRH1 P35367 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP19A1 P11511 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TOP2A P11388 1/20 0.31
TOP2B Q02880 1/20 0.31
FDPS P14324 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
SCHEMBL4903200 1.00 CA2 (0.38) CA2CHKAKDM4EUSP2SMN1; SMN2
SCHEMBL2673341 0.97 CHRM2 (0.36) CA2CHKAKDM4EUSP2SMN1; SMN2
SCHEMBL1666608 0.89 MEN1 (0.39) SMN1; SMN2SIGMAR1CHRM2CHRM1MEN1
SCHEMBL4442864 0.87 MEN1 (0.38) SMN1; SMN2SIGMAR1CHRM2CHRM1MEN1
SCHEMBL9669427 0.84 FDPS (0.38) SMN1; SMN2CYP2D6FDPS
SCHEMBL36730 0.84 FDPS (0.38) SMN1; SMN2CYP2D6FDPS
SCHEMBL18672430 0.82 CHRM2 (0.36) CA2CHKAKDM4EUSP2SMN1; SMN2
SCHEMBL2499397 0.81 FDPS (0.33) SMN1; SMN2CYP2D6FDPS
SCHEMBL28078048 0.79 SIGMAR1 (0.33) KDM4ESIGMAR1
SCHEMBL24857283 0.78 ALDH1A1 (0.36) CA2CHKAKDM4EUSP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022175384-A1 SMALL-MOLECULE AGENTS WITH ANTIVIRAL ACTIVITY AGAINST RNA VIRUSES FUNDACIÓN UNIVERSIDAD CATÓLICA DE VALENCIA SAN VICENTE MÁRTIR (ES) 2022-08-25 WO disclosed
CN-104046246-A Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PROD & CHEM 2014-09-17 CN disclosed
EP-1732896-B1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMA INC (US) 2012-12-12 EP disclosed
US-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-08-09 US disclosed
US-8173682-B2 Substituted pyridones as inhibitors of poly(ADP-ribose) polymerase (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2012-05-08 US disclosed
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2007-02-08 US disclosed
EP-1732896-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) Aventis Pharmaceuticals Inc. (US) 2006-12-20 EP disclosed
WO-2005097750-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 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 (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-20120202795-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 CA2 4624/4885CHKA 1767/4885KDM4E 1262/4885
US-20070032489-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP3 CA2 4624/4885CHKA 1767/4885KDM4E 1262/4885

“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.