SCHEMBL934580

SCHEMBL934580

CCOC(=O)/C(O)=C/C(=O)c1ccc(OC)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.49
MAPT P10636 2/20 0.48
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
GPR183 P32249 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
OXTR P30559 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CXCR1 P25024 1/20 0.37
CXCR2 P25025 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GABRA1 P14867 1/20 0.37
JMJD6 Q6NYC1 1/20 0.37
PABPC1 P11940 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL934582 1.00 NNMT (0.49) NNMTMAPTMAOAMAOBMKNK1
SCHEMBL933430 0.86 HDAC1 (0.44) MAPTMEN1KMT2AKDM4ECYP1A2
SCHEMBL933429 0.86 HDAC1 (0.44) MAPTMEN1KMT2AKDM4ECYP1A2
SCHEMBL23200631 0.80 NNMT (0.57) NNMTMAPTMAOAMAOBMKNK1
SCHEMBL30272587 0.80 NNMT (0.57) NNMTMAPTMAOAMAOBMKNK1
SCHEMBL933903 0.80 ALDH1A1 (0.45) MAPTL3MBTL1CA12CA1CA9
SCHEMBL933904 0.80 ALDH1A1 (0.45) MAPTL3MBTL1CA12CA1CA9
SCHEMBL934677 0.79 CYP1A2 (0.55) MAPTMAOAMAOBMEN1KMT2A
SCHEMBL934675 0.79 CYP1A2 (0.55) MAPTMAOAMAOBMEN1KMT2A
SCHEMBL17203947 0.79 CYP1A2 (0.55) MAPTMAOAMAOBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120128630-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARAMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE VIVALIS (FR) 2012-05-24 US disclosed
EP-2451800-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE Vivalis (FR) 2012-05-16 EP disclosed
WO-2011004017-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE VIVALIS (FR) 2011-01-13 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 (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-20120128630-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARAMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE NAT1, POLM, PYGL NNMT 43/4885MAPT 25/4885MAOA 3422/4885

“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.