SCHEMBL2069040

SCHEMBL2069040

COCCOc1ccc([N+](=O)[O-])c(C)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 10/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.39
GSR P00390 1/20 0.39
HPGD P15428 1/20 0.39
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
GFER P55789 1/20 0.38
PAX8 Q06710 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL30021226 1.00 TXNRD1 (0.43) TXNRD1RAB9ANPC1RECQLSMN1; SMN2
SCHEMBL26087592 0.84 TXNRD1 (0.46) TXNRD1RAB9ANPC1RECQLSMN1; SMN2
SCHEMBL1313407 0.83 MAOA (0.49) TXNRD1RAB9ANPC1RECQLKMT2A
SCHEMBL27772658 0.81 TXNRD1 (0.41) TXNRD1RAB9ANPC1RECQLALDH1A1
SCHEMBL31703573 0.81 NPC1 (0.37) TXNRD1RAB9ANPC1RECQLSMN1; SMN2
SCHEMBL1428159 0.80 TXNRD1 (0.58) TXNRD1RAB9AMAPTMAPK1GSR
SCHEMBL31703473 0.80 NPC1 (0.36) TXNRD1RAB9ANPC1RECQLSMN1; SMN2
SCHEMBL7836090 0.79 TXNRD1 (0.56) TXNRD1RAB9AMAPTMAPK1GSR
SCHEMBL7836091 0.79 TXNRD1 (0.56) TXNRD1RAB9AMAPTMAPK1GSR
SCHEMBL7836089 0.79 TXNRD1 (0.56) TXNRD1RAB9AMAPTMAPK1GSR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230115274-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-04-13 US disclosed
EP-4085061-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2022-11-09 EP disclosed
CN-115279770-A Compounds and compositions for treating diseases associated with STING activity 艾福姆德尤股份有限公司 2022-11-01 CN disclosed
WO-2021138419-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC, (US) 2021-07-08 WO disclosed
EP-2438063-A1 1H-IMIDAZO[4,5-C]QUINOLINONE COMPOUNDS, USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-04-11 EP disclosed
WO-2010139747-A1 1H-IMIDAZO[4, 5-c]QUINOLINONE COMPOUNDS, USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2010-12-09 WO disclosed
WO-2010139747-A1 1H-IMIDAZO[4, 5-c]QUINOLINONE COMPOUNDS, USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2010-12-09 WO disclosed
US-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS NOVARTIS AG (CH) 2010-12-09 US disclosed
US-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS NOVARTIS AG (CH) 2010-12-09 US disclosed
US-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS NOVARTIS AG (CH) 2010-12-09 US 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-20100311714-A1 1H-IMIDAZO[4,5-c]QUINOLINONE COMPOUNDS PRKCA, ABL1, MYLK2 TXNRD1 1492/4885RAB9A 646/4885NPC1 388/4885
US-20230115274-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 TXNRD1 1317/4885RAB9A 876/4885NPC1 859/4885

“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.