SCHEMBL2848376

SCHEMBL2848376

COc1cc(NC(C)=O)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
MAPT P10636 4/20 0.63
SLC9A1 P19634 1/20 0.47
LMNA P02545 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
S1PR4 O95977 1/20 0.47
OPRK1 P41145 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
PAX8 Q06710 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
AGER Q15109 1/20 0.46
RORC P51449 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
GALR2 O43603 1/20 0.45
MITF O75030 1/20 0.45
POLB P06746 1/20 0.45
HSP90AA1 P07900 1/20 0.45

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
SCHEMBL359182 0.84 LMNA (0.61) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL28664013 0.84 MAPT (0.51) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL6354726 0.83 SLC9A1 (0.59) ALDH1A1MAPTSLC9A1LMNAKMT2A
SCHEMBL11447660 0.83 CHEK1 (0.56) ALDH1A1MAPTSLC9A1LMNAMEN1
SCHEMBL1291798 0.83 LMNA (0.50) ALDH1A1MAPTSLC9A1LMNAMEN1
SCHEMBL3111126 0.83 SLC9A1 (0.56) ALDH1A1MAPTSLC9A1LMNAMEN1
SCHEMBL27587603 0.83 ALDH1A1 (0.47) ALDH1A1MAPTSLC9A1LMNAKMT2A
SCHEMBL27587598 0.82 ALDH1A1 (0.47) ALDH1A1MAPTSLC9A1LMNAMEN1
SCHEMBL9396485 0.82 MAPT (0.52) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL28550137 0.82 ALDH1A1 (0.53) ALDH1A1MAPTLMNAMEN1KMT2A

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
CN-101668742-B Bridged six-membered ring compounds ACTELION PHARMACEUTICALS LTD 2014-04-30 CN disclosed
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 ALDH1A1 1834/4885MAPT 1817/4885SLC9A1 432/4885

“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.