SCHEMBL2849122

SCHEMBL2849122

COc1ccc(Cl)c(NC(C)=O)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RORC P51449 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
NQO2 P16083 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL11527208 0.86 KMT2A (0.43) KDM4ERORCMEN1KMT2AGAA
SCHEMBL11523050 0.82 RORC (0.46) POLBKDM4ETDP1RORCMEN1
SCHEMBL10439849 0.80 CLCN2 (0.55) POLBKDM4ERORCMEN1KMT2A
SCHEMBL11522006 0.79 KDM4E (0.48) POLBKDM4ECTDSP1TDP1L3MBTL1
SCHEMBL20612886 0.78 ALDH1A1 (0.44) KDM4ERORCMEN1KMT2APKM
SCHEMBL6782568 0.78 PDE4D (0.49) KDM4ERORCKMT2APKMALDH1A1
SCHEMBL11499258 0.78 ALDH1A1 (0.48) KDM4ETDP1L3MBTL1RORCMEN1
SCHEMBL1457882 0.76 SMN1; SMN2 (0.56) POLBKDM4ETDP1MEN1KMT2A
SCHEMBL11522426 0.76 RORC (0.49) POLBKDM4ETDP1RORCMEN1
Acetic Acid SCHEMBL28107136 0.76 KDM4E (0.50) POLBKDM4ECTDSP1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152670-B1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-12-25 EP disclosed
US-8202885-B2 Bridged six-membered ring compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-06-19 US disclosed
US-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 2010-05-27 US disclosed
EP-2152670-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-02-17 EP disclosed
WO-2008132679-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2008-11-06 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-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS CACNA1E, CACNA1B, CACNA1A POLB 2616/4885KDM4E 3186/4885CTDSP1 4531/4885

“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.