SCHEMBL1562969

SCHEMBL1562969

CS/C(=C\[N+](=O)[O-])Nc1ccc(C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 1.00
ALDH1A1 P00352 10/20 1.00
LMNA P02545 5/20 1.00
HTT P42858 3/20 0.74
SMN1; SMN2 Q16637 1/20 0.63
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
TGM2 P21980 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 1/20 0.41
NMT1 P30419 1/20 0.40
FBP1 P09467 1/20 0.40
DDAH1 O94760 1/20 0.39

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
SCHEMBL1562970 1.00 MAPT (1.00) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL22309920 0.85 ALDH1A1 (1.00) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL8591336 0.85 MAPT (1.00) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL8591331 0.85 MAPT (1.00) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL16077770 0.85 MAPT (1.00) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL10453546 0.83 MAPT (0.70) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL14614903 0.83 MAPT (0.73) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL10453548 0.83 MAPT (0.70) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL31307214 0.82 ALDH1A1 (0.71) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL13374840 0.81 ALDH1A1 (0.71) MAPTALDH1A1LMNAHTTSMN1; 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 12 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-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-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-20080249131-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2008-10-09 US 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 702/4885ALDH1A1 271/4885LMNA 1811/4885
US-20060135556-A1 Non-nucleoside reverse transcriptase inhibitors POLRMT, TYMP, RNGTT MAPT 702/4885ALDH1A1 271/4885LMNA 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.