SCHEMBL934154

SCHEMBL934154

CCOC(=O)/C(O)=C/C(=O)c1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PTGS2 P35354 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ELANE P08246 1/20 0.44
TP53 P04637 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
KYAT1 Q16773 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
ERCC5 P28715 1/20 0.42

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
SCHEMBL934155 1.00 MAPT (0.48) MAPTGAAALDH1A1HPGDHTT
SCHEMBL933234 0.86 GPR52 (0.47) MAPTALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL933233 0.86 GPR52 (0.47) MAPTALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL3578987 0.84 MAPT (0.54) MAPTGAAALDH1A1HPGDLMNA
SCHEMBL3578988 0.84 MAPT (0.54) MAPTGAAALDH1A1HPGDLMNA
SCHEMBL4016111 0.84 MAPT (0.54) MAPTGAAALDH1A1HPGDLMNA
SCHEMBL8090077 0.83 LMNA (0.50) MAPTALDH1A1HPGDHTTLMNA
SCHEMBL14390483 0.82 SMN1; SMN2 (0.48) MAPTGAAALDH1A1HPGDMAOA
SCHEMBL8098672 0.82 SMN1; SMN2 (0.48) MAPTGAAALDH1A1HPGDMAOA
SCHEMBL934099 0.82 NPC1 (0.54) MAPTGAAALDH1A1HPGDHTT

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 MAPT 25/4885GAA 996/4885ALDH1A1 1657/4885

“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.