SCHEMBL3292556

SCHEMBL3292556

COc1ccc([N+](=O)[O-])c2c1sc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ TDP1 Q9NUW8 4/20 0.47
▸ MAPT P10636 5/20 0.44
▸ HPGD P15428 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ CYP19A1 P11511 2/20 0.42
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ TP53 P04637 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
SCHEMBL3293767 0.79 CYP19A1 (0.37) ALDH1A1TDP1MAPTHPGDL3MBTL1
SCHEMBL3292618 0.78 CTSB (0.54) ALDH1A1TDP1MAPTHPGDNPC1
SCHEMBL3638298 0.75 MAPT (0.46) ALDH1A1MAPTHPGDCYP1A2NPC1
SCHEMBL1614175 0.75 MAPT (0.64) ALDH1A1TDP1MAPTHPGDCYP1A2
SCHEMBL589908 0.74 ALDH1A1 (0.61) ALDH1A1TDP1MAPTCYP3A4L3MBTL1
SCHEMBL10810296 0.74 MAPT (0.46) ALDH1A1TDP1MAPTHPGDCYP1A2
SCHEMBL9507659 0.73 ALDH1A1 (0.49) ALDH1A1TDP1MAPTHPGDCYP1A2
SCHEMBL5017959 0.73 CDC25B (0.50) ALDH1A1TDP1MAPTHPGDCYP1A2
SCHEMBL21206935 0.72 MAPT (0.61) ALDH1A1TDP1MAPTHPGDCYP1A2
SCHEMBL31478092 0.72 TDP1 (0.53) ALDH1A1TDP1MAPTCYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016116900-A1 INHIBITORS OF TRKA KINASE GVK BIOSCIENCES PRIVATE LIMITED (IN) 2016-07-28 — — WO disclosed
US-7732483-B2 DNA-PK inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2010-06-08 — — US disclosed
US-7732483-B2 DNA-PK inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2010-06-08 — — US disclosed
US-7696203-B2 DNA-PK inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2010-04-13 — — US disclosed
US-7696203-B2 DNA-PK inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2010-04-13 — — US disclosed
US-7696203-B2 DNA-PK inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2010-04-13 — — US disclosed
US-20080242664-A1 DNA-PK INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2008-10-02 — — US disclosed
US-20080242664-A1 DNA-PK INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2008-10-02 — — US disclosed
US-7402607-B2 DNA-PK inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2008-07-22 — — US disclosed
US-7402607-B2 DNA-PK inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2008-07-22 — — US disclosed
US-7402607-B2 DNA-PK inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2008-07-22 — — US disclosed
EP-1869021-A1 DNA-PK INHIBITORS Kudos Pharmaceuticals Ltd (GB) 2007-12-26 — — EP disclosed
US-20070238731-A1 Dna-Pk Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2007-10-11 — — US disclosed
US-20070238731-A1 Dna-Pk Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2007-10-11 — — US disclosed
US-20070238731-A1 Dna-Pk Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2007-10-11 — — US disclosed
EP-1794151-A1 DNA-PK INHIBITORS Kudos Pharmaceuticals Limited (GB) 2007-06-13 — — EP disclosed
US-20060264427-A1 3-amino-N-[4-(2-morpholin-4-yl-1-benzopyran-4-one)-dibenzofuran-1-yl]-propionamides ; anticancer, antitumor agents KUDOS PHARMACEUTICALS LIMITED (GB) 2006-11-23 — — US disclosed
WO-2006109081-A1 DNA-PK INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2006-10-19 — — WO disclosed
US-20060106025-A1 e.g. 2-Chloro-N-[4-(2-morpholin-4-yl-4-oxo-4H-chromen-8-yl)-dibenzothiophen-1-yl]-acetamide; anticancer, antitumor agents KUDOS PHARMACEUTICALS LIMITED (GB) 2006-05-18 — — US disclosed
WO-2006032869-A1 DNA-PK INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2006-03-30 — — 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-20080242664-A1 DNA-PK INHIBITORS XRCC6, XRCC5, POLK ALDH1A1 4383/4885TDP1 259/4885MAPT 4209/4885
US-20070238731-A1 Dna-Pk Inhibitors XRCC6, XRCC5, POLK ALDH1A1 4317/4885TDP1 296/4885MAPT 4277/4885
US-20060106025-A1 e.g. 2-Chloro-N-[4-(2-morpholin-4-yl-4-oxo-4H-chromen-8-yl)-dibenzothiophen-1-yl]-acetamide; anticancer, antitumor agents NR4A1, NR5A2, NR2E1 ALDH1A1 2325/4885TDP1 4236/4885MAPT 4590/4885
US-20060264427-A1 3-amino-N-[4-(2-morpholin-4-yl-1-benzopyran-4-one)-dibenzofuran-1-yl]-propionamides ; anticancer, antitumor agents POLK, DCK, POLN ALDH1A1 1666/4885TDP1 157/4885MAPT 4362/4885

“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.

Send feedback