SCHEMBL1563574

SCHEMBL1563574

COc1cc(Cl)c2c(C)ccc([N+](=O)[O-])c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TXNRD1 Q16881 9/20 0.43
S1PR4 O95977 2/20 0.42
S1PR1 P21453 2/20 0.42
MAPK1 P28482 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HTT P42858 2/20 0.42
JAK2 O60674 1/20 0.42
HSP90AA1 P07900 1/20 0.42
GSR P00390 1/20 0.41
RAB9A P51151 1/20 0.40
GFER P55789 1/20 0.40
PAX8 Q06710 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 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
SCHEMBL7693482 0.85 MAPT (0.47) MAPTL3MBTL1LMNATDP1TXNRD1
SCHEMBL7693395 0.83 MEN1 (0.43) MAPTL3MBTL1LMNATDP1MAPK1
SCHEMBL5312158 0.78 DCTPP1 (0.38) MAPTL3MBTL1LMNATDP1TXNRD1
SCHEMBL1562596 0.76 HSP90AA1 (0.37) MAPTTDP1HTTHSP90AA1RAB9A
SCHEMBL2936278 0.75 MAPT (0.38) MAPTL3MBTL1LMNATDP1TXNRD1
SCHEMBL6537530 0.73 MEN1 (0.55) MAPTL3MBTL1LMNATDP1MAPK1
SCHEMBL22833440 0.69 ALDH1A1 (0.44) MAPTTDP1TXNRD1S1PR4S1PR1
SCHEMBL29391771 0.68 S1PR4 (0.58) MAPTTXNRD1S1PR4S1PR1MAPK1
SCHEMBL228399 0.68 S1PR4 (0.58) MAPTTXNRD1S1PR4S1PR1MAPK1
SCHEMBL6537327 0.68 MEN1 (0.45) MAPTL3MBTL1LMNATDP1MAPK1

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
EP-2353593-B1 Non-nucleoside reverse transcriptase inhibitors ARDEA BIOSCIENCES INC (US) 2012-08-22 EP disclosed
EP-2353593-A1 Non-nucleoside reverse transcriptase inhibitors Ardea Biosciences, Inc. (US) 2011-08-10 EP disclosed
EP-1545483-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES INC (US) 2011-04-06 EP disclosed
EP-1545483-A4 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES INC (US) 2009-03-25 EP disclosed
US-20080249131-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2008-10-09 US disclosed
US-20060135556-A1 Non-nucleoside reverse transcriptase inhibitors INTRABIOTICS PHARMACEUTICALS, INC. 2006-06-22 US disclosed
EP-1545483-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Ribapharm Inc. (US) 2005-06-29 EP disclosed
WO-2004030611-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RIBAPHARM INC. (US) 2004-04-15 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-20080249131-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS POLRMT, TYMP, RNGTT MAPT 702/4885L3MBTL1 1254/4885LMNA 1811/4885
US-20060135556-A1 Non-nucleoside reverse transcriptase inhibitors POLRMT, TYMP, RNGTT MAPT 702/4885L3MBTL1 1254/4885LMNA 1811/4885

“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.