SCHEMBL1608180

SCHEMBL1608180

COC(=O)c1cc2cc([N+](=O)[O-])c(O)c(O)c2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.41
COMT P21964 1/20 0.41
USP10 Q14694 1/20 0.40
VCAM1 P19320 1/20 0.40
CASP6 P55212 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
GPR35 Q9HC97 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TTR P02766 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL3364349 0.81 CASP6 (0.40) ERN1COMTCASP6ALDH1A1HPGD
SCHEMBL1609305 0.78 USP10 (0.44) USP10VCAM1ALDH1A1HPGDSMN1; SMN2
SCHEMBL2893152 0.78 ALDH1A1 (0.49) USP10VCAM1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3647920 0.77 POLB (0.42) COMTALDH1A1HPGDGPR35SMN1; SMN2
SCHEMBL16396141 0.74 HDAC3 (0.46) ALDH1A1HPGDSMN1; SMN2LMNAPOLB
SCHEMBL19433565 0.74 LMNA (0.45) USP10VCAM1ALDH1A1HPGDSMN1; SMN2
SCHEMBL16396006 0.74 PTPN2 (0.45) USP10VCAM1ALDH1A1HPGDSMN1; SMN2
SCHEMBL16396400 0.74 PTPN2 (0.43) USP10VCAM1ALDH1A1HPGDSMN1; SMN2
SCHEMBL31158388 0.74 PTPN2 (0.51) USP10VCAM1ALDH1A1HPGDSMN1; SMN2
SCHEMBL16396109 0.74 PTPN2 (0.51) USP10VCAM1ALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318785-B2 Pharmaceutical compounds ORION CORPORATION (FI) 2012-11-27 US claimed
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2011-04-14 US claimed
EP-1910325-B1 NEW PHARMACEUTICAL COMPOUNDS ORION CORP (FI) 2010-10-06 EP claimed
US-20090209532-A1 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2009-08-20 US claimed
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 ERN1 2927/4885COMT 1/4885USP10 2855/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 ERN1 3641/4885COMT 1/4885USP10 2864/4885

“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.