SCHEMBL1563395

SCHEMBL1563395

Cc1ccc(-n2c(C)nnc2[N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
HSD17B10 Q99714 2/20 0.44
ACHE P22303 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 2/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
HPGD P15428 2/20 0.40
HKDC1 Q2TB90 1/20 0.40
ALDH1A1 P00352 5/20 0.40
TDP1 Q9NUW8 3/20 0.40
MAPT P10636 4/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 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
SCHEMBL13703856 0.69 KDM4E (0.47) LMNAL3MBTL1KDM4EALOX15TSHR
SCHEMBL10434136 0.66 HTR2A (0.58) LMNAHSD17B10ACHEL3MBTL1HTT
SCHEMBL1562163 0.66 L3MBTL1 (0.43) LMNAHSD17B10L3MBTL1KDM4EALOX15
SCHEMBL19142550 0.64 MAPK9 (0.63) LMNAHSD17B10L3MBTL1KDM4EALOX15
SCHEMBL12613234 0.62 GSK3A (0.57) LMNAACHEL3MBTL1KDM4EALOX15
SCHEMBL11734241 0.62 GSK3A (0.57) LMNAACHEL3MBTL1KDM4EALOX15
4-Nitrotoluene SCHEMBL2484690 0.62 ACHE (1.00) LMNAHSD17B10ACHETSHRPKM
4-Nitrotoluene SCHEMBL73252 0.62 ACHE (1.00) LMNAHSD17B10ACHETSHRPKM
SCHEMBL15007112 0.62 MAPT (0.54) LMNAHSD17B10ACHEL3MBTL1KDM4E
SCHEMBL31301530 0.62 LMNA (0.47) LMNAHSD17B10ACHEHTTPKM

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 LMNA 1811/4885HSD17B10 1067/4885ACHE 1463/4885
US-20060135556-A1 Non-nucleoside reverse transcriptase inhibitors POLRMT, TYMP, RNGTT LMNA 1811/4885HSD17B10 1067/4885ACHE 1463/4885

“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.