SCHEMBL933699

SCHEMBL933699

Nc1ccc(OCc2ccccc2)nn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.55
GAA P10253 4/20 0.49
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
MAOB P27338 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
MAOA P21397 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.47
LTA4H P09960 1/20 0.46
MAPK14 Q16539 1/20 0.46
NUDT1 P36639 1/20 0.45
PKM P14618 1/20 0.45
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
IDO1 P14902 1/20 0.42
AGXT P21549 1/20 0.41

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
SCHEMBL4274920 0.88 LMNA (0.55) GAALMNAHTTMAOBSMN1; SMN2
SCHEMBL8965693 0.80 CYP3A4 (0.51) MAOBIDO1AGXT
SCHEMBL8965946 0.80 IDO1 (0.51) LMNAMAOBMAOAALDH1A1IDO1
SCHEMBL10533393 0.80 NPC1 (0.50) BCAT2LMNAHTTMAOBSMN1; SMN2
SCHEMBL3002786 0.79 LMNA (0.49) GAALMNAHTTMAOBSMN1; SMN2
SCHEMBL8965939 0.78 MAOB (0.55) HTTMAOBSMN1; SMN2MAPTIDO1
SCHEMBL25343798 0.78 ALDH1A1 (0.50) GAALMNAHTTMAOBSMN1; SMN2
SCHEMBL30473672 0.78 ALDH1A1 (0.50) GAALMNAHTTMAOBSMN1; SMN2
SCHEMBL518381 0.78 ALDH1A1 (0.50) GAALMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL31219824 0.78 ALDH1A1 (0.50) GAALMNAHTTSMN1; SMN2ALDH1A1

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 6 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
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 US 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
EP-2065369-A1 UREA COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2009-06-03 EP disclosed
WO-1989001333-A1 IMIDAZO[1,2-b]PYRIDAZINES THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 1989-02-23 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-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 BCAT2 411/4885GAA 996/4885LMNA 3158/4885
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF FAAH, FAAH2, UTS2R BCAT2 655/4885GAA 1253/4885LMNA 4308/4885

“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.