SCHEMBL933424

SCHEMBL933424

CCOC(=O)/C(O)=C/C(=O)c1ccc(OC)cc1.Cc1ccc(N)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
MAPT P10636 6/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAOB P27338 2/20 0.39
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 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
SCHEMBL933425 1.00 ALDH1A1 (0.43) ALDH1A1HTTSMN1; SMN2NPSR1CYP1A2
SCHEMBL934677 0.86 CYP1A2 (0.55) ALDH1A1HTTSMN1; SMN2NPSR1CYP1A2
SCHEMBL934675 0.86 CYP1A2 (0.55) ALDH1A1HTTSMN1; SMN2NPSR1CYP1A2
SCHEMBL17203947 0.86 CYP1A2 (0.55) ALDH1A1HTTSMN1; SMN2NPSR1CYP1A2
SCHEMBL934158 0.77 SMN1; SMN2 (0.59) ALDH1A1HTTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL934159 0.77 SMN1; SMN2 (0.59) ALDH1A1HTTSMN1; SMN2CYP1A2CYP3A4
SCHEMBL934270 0.75 MAOB (0.54) ALDH1A1MAPTKMT2AMAOBNPC1
SCHEMBL934271 0.75 MAOB (0.54) ALDH1A1MAPTKMT2AMAOBNPC1
SCHEMBL934032 0.74 KMT2A (0.51) ALDH1A1NPSR1MAPTKMT2ATP53
SCHEMBL934030 0.74 KMT2A (0.51) ALDH1A1NPSR1MAPTKMT2ATP53

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 ALDH1A1 1657/4885HTT 368/4885SMN1; SMN2 2980/4885

“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.