SCHEMBL1609220

SCHEMBL1609220

CCOc1c([N+](=O)[O-])cc(C=O)c(Br)c1OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MAPT P10636 6/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
PRKDC P78527 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ERN1 O75460 1/20 0.41
HPGD P15428 2/20 0.39
ALDH3A1 P30838 1/20 0.38
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
CYP1A2 P05177 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
POLB P06746 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL4599867 0.91 ERN1 (0.47) LMNAMAPTALDH1A1KDM4ECYP3A4
SCHEMBL13664107 0.76 LMNA (0.62) LMNAALDH1A1KDM4EPRKDCHSD17B10
SCHEMBL22835830 0.73 ALDH1A1 (0.56) LMNAMAPTALDH1A1KDM4ECYP3A4
SCHEMBL29615996 0.73 ALDH1A1 (0.56) LMNAMAPTALDH1A1KDM4ECYP3A4
SCHEMBL5424403 0.72 ALDH1A1 (0.68) LMNAMAPTALDH1A1KDM4ECYP3A4
SCHEMBL28497425 0.72 ALDH1A1 (0.46) LMNAMAPTALDH1A1KDM4EHPGD
SCHEMBL28992151 0.71 MAPT (0.46) LMNAMAPTALDH1A1CYP3A4HPGD
SCHEMBL20523721 0.71 MAPT (0.43) LMNAMAPTALDH1A1ERN1HPGD
SCHEMBL304765 0.71 TDP1 (0.49) LMNAMAPTALDH1A1KDM4ECYP3A4
SCHEMBL28589280 0.70 GPR35 (0.47) LMNAMAPTALDH1A1KDM4EALOX15

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101282957-B New pharmaceutical compounds ORION CORP 2013-07-10 CN disclosed
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
CN-101282957-A New pharmaceutical compounds ORION CORP (FI) 2008-10-08 CN 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 LMNA 3994/4885MAPT 1148/4885ALDH1A1 65/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 LMNA 3538/4885MAPT 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.