SCHEMBL934100

SCHEMBL934100

CCOC(=O)C(O)=CC(=O)c1cccc(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MAPT P10636 3/20 0.54
ALDH1A1 P00352 2/20 0.54
MAOB P27338 2/20 0.52
ABCG2 Q9UNQ0 1/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
GPR52 Q9Y2T5 1/20 0.50
PARP1 P09874 1/20 0.48
HSD11B1 P28845 1/20 0.47
BCHE P06276 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46
HTT P42858 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL934099 1.00 NPC1 (0.54) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL2232262 0.86 MAOB (0.57) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL2232266 0.86 MAOB (0.57) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL933233 0.85 GPR52 (0.47) SMN1; SMN2MAPTALDH1A1CES2CES1
SCHEMBL933234 0.85 GPR52 (0.47) SMN1; SMN2MAPTALDH1A1CES2CES1
SCHEMBL934675 0.83 CYP1A2 (0.55) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL934677 0.83 CYP1A2 (0.55) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL17203947 0.83 CYP1A2 (0.55) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL15563734 0.83 MAOB (0.60) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL15563733 0.83 MAOB (0.60) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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 NPC1 640/4885RAB9A 2946/4885SMN1; 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.