SCHEMBL248836

SCHEMBL248836

COc1cc2[nH]cc([N+](=O)[O-])c(=O)c2cc1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSV O60911 5/20 0.59
CTSL P07711 5/20 0.59
POLB P06746 2/20 0.50
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
SRD5A1 P18405 1/20 0.46
SRD5A2 P31213 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ABCB1 P08183 1/20 0.45
HTR1A P08908 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
MDH2 P40926 1/20 0.41
ELANE P08246 1/20 0.41

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
SCHEMBL6434901 0.85 KDM4E (0.48) CTSVCTSLPOLBALDH1A1MAPT
SCHEMBL256578 0.82 CTSL (0.64) CTSVCTSLPOLBALDH1A1MAPT
SCHEMBL2063876 0.82 CTSV (0.64) CTSVCTSLPOLBALDH1A1MAPT
SCHEMBL2063188 0.79 CTSV (0.60) CTSVCTSLPOLBALDH1A1MAPT
SCHEMBL5458919 0.79 CTSL (0.60) CTSVCTSLPOLBALDH1A1MAPT
SCHEMBL248837 0.78 HTR1A (0.47) CTSVCTSLPOLBALDH1A1MAPT
SCHEMBL17067000 0.78 CTSV (0.58) CTSVCTSLPOLBALDH1A1MAPT
SCHEMBL15730198 0.78 CTSV (0.57) CTSVCTSLPOLBALDH1A1MAPT
SCHEMBL18474478 0.78 CTSV (0.57) CTSVCTSLPOLBALDH1A1MAPT
SCHEMBL31756984 0.77 MEN1 (0.56) CTSVCTSLPOLBALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166567-A1 IMIDAZO[4,5-C]QUINOLINES AS DNA-PK INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2017-06-15 US disclosed
US-20170166567-A1 IMIDAZO[4,5-C]QUINOLINES AS DNA-PK INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2017-06-15 US disclosed
US-9598408-B2 Imidazo[4,5-C]quinolines as DNA-PK inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2017-03-21 US disclosed
US-9598408-B2 Imidazo[4,5-C]quinolines as DNA-PK inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2017-03-21 US disclosed
US-20150203491-A1 IMIDAZO[4,5-C]QUINOLINES AS DNA-PK INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2015-07-23 US disclosed
US-20150203491-A1 IMIDAZO[4,5-C]QUINOLINES AS DNA-PK INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2015-07-23 US disclosed
US-9000153-B2 Imidazo[4,5-c]quinolines as DNA-PK inhibitors MERCK PATENT GMBH (DE) 2015-04-07 US disclosed
US-9000153-B2 Imidazo[4,5-c]quinolines as DNA-PK inhibitors MERCK PATENT GMBH (DE) 2015-04-07 US disclosed
EP-2609082-B1 IMIDAZO[4,5-C]QUINOLINES AS DNA-PK INHIBITORS MERCK PATENT GMBH (DE) 2015-02-18 EP disclosed
EP-2609082-B1 IMIDAZO[4,5-C]QUINOLINES AS DNA-PK INHIBITORS MERCK PATENT GMBH (DE) 2015-02-18 EP disclosed
EP-2588457-B1 PYRAZOLOQUINOLINE DERIVATIVES AS DNA-PK INHIBITORS MERCK PATENT GMBH (DE) 2014-11-05 EP disclosed
US-8802712-B2 Pyrazoloquinolines MERCK PATENT GMBH (DE) 2014-08-12 US disclosed
US-20130172337-A1 Imidazo[4,5-c]quinolines as DNA-PK inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-07-04 US disclosed
US-20130172337-A1 Imidazo[4,5-c]quinolines as DNA-PK inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-07-04 US disclosed
US-20130150359-A1 PYRAZOLOQUINOLINES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-13 US disclosed
EP-2588457-A1 PYRAZOLO-QUINOLINES Merck Patent GmbH (DE) 2013-05-08 EP disclosed
WO-2012000632-A1 PYRAZOLO-QUINOLINES MERCK PATENT GMBH (DE) 2012-01-05 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 (4 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-20170166567-A1 IMIDAZO[4,5-C]QUINOLINES AS DNA-PK INHIBITORS CHEK1, CHEK2, TTK CTSV 3875/4885CTSL 3397/4885POLB 280/4885
US-20130172337-A1 Imidazo[4,5-c]quinolines as DNA-PK inhibitors CHEK1, CHEK2, TTK CTSV 3875/4885CTSL 3397/4885POLB 280/4885
US-20150203491-A1 IMIDAZO[4,5-C]QUINOLINES AS DNA-PK INHIBITORS CHEK1, CHEK2, TTK CTSV 3875/4885CTSL 3397/4885POLB 280/4885
US-20130150359-A1 PYRAZOLOQUINOLINES PLK1, PKN3, PKN1 CTSV 4055/4885CTSL 3804/4885POLB 1216/4885

“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.