SCHEMBL2848439

SCHEMBL2848439

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.51
KDM4E B2RXH2 2/20 0.51
POLB P06746 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 3/20 0.43
BLM P54132 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL27689498 0.83 LMNA (0.46) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL10979888 0.81 TDP1 (0.50) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL11881928 0.81 ALDH1A1 (0.48) TDP1HTTMAPTALDH1A1HPGD
SCHEMBL9765161 0.80 TDP1 (0.49) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL10962625 0.80 MEN1 (0.51) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL25280185 0.79 TDP1 (0.51) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL25257569 0.79 TDP1 (0.47) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL1624471 0.79 TDP1 (0.47) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL1179747 0.78 TDP1 (0.62) TDP1KDM4EPOLBCTDSP1L3MBTL1
SCHEMBL29396391 0.78 TDP1 (0.62) TDP1KDM4EPOLBCTDSP1L3MBTL1

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 TDP1 4085/4885KDM4E 3186/4885POLB 2616/4885

“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.