SCHEMBL1608925

SCHEMBL1608925

CC(=O)Oc1cc2c(c([N+](=O)[O-])c1O)CN(c1ccc(Cl)cc1)C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 7/20 0.39
ALDH1A1 P00352 4/20 0.39
RECQL P46063 1/20 0.39
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
POLB P06746 2/20 0.35
DUSP3 P51452 1/20 0.35
MCL1 Q07820 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AMY1A P0DUB6 1/20 0.34
LMNA P02545 4/20 0.33
NPC1 O15118 3/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
TLR9 Q9NR96 2/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL1609209 0.82 GRIN2D (0.36) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL1608759 0.76 PTGES (0.42) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL1609263 0.75 PTGES (0.40) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL1609751 0.70 RECQL (0.38) SMN1; SMN2MAPTALDH1A1RECQLKDM4E
SCHEMBL17199222 0.64 MIF (0.46) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL31276843 0.63 TTR (0.47) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL1608784 0.63 HTR2C (0.50) MAPTMEN1KMT2APOLBNPC1
SCHEMBL6348505 0.63 S100A4 (0.48) SMN1; SMN2ALDH1A1RECQLPOLBLMNA
SCHEMBL9597051 0.62 TSHR (0.51) SMN1; SMN2ALDH1A1KMT2APOLBL3MBTL1
SCHEMBL27633813 0.62 SMN1; SMN2 (0.54) SMN1; SMN2MAPTALDH1A1MEN1KMT2A

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-8318785-B2 Pharmaceutical compounds ORION CORPORATION (FI) 2012-11-27 US disclosed
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2011-04-14 US disclosed
EP-1910325-B1 NEW PHARMACEUTICAL COMPOUNDS ORION CORP (FI) 2010-10-06 EP disclosed
US-20090209532-A1 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2009-08-20 US disclosed
EP-1910325-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2008-04-16 EP disclosed
WO-2007010085-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2007-01-25 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-20090209532-A1 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, UGT1A1 SMN1; SMN2 1281/4885MAPT 1148/4885ALDH1A1 65/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 SMN1; SMN2 2315/4885MAPT 2131/4885ALDH1A1 233/4885

“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.