SCHEMBL16213360

SCHEMBL16213360

O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 15/20 0.68
MEN1 O00255 14/20 0.68
POLB P06746 8/20 0.68
NPC1 O15118 6/20 0.68
NPSR1 Q6W5P4 6/20 0.68
CCR6 P51684 3/20 0.68
S1PR4 O95977 2/20 0.68
S1PR1 P21453 2/20 0.68
HPGD P15428 1/20 0.68
XBP1 P17861 1/20 0.68
RAB9A P51151 5/20 0.68
TLR9 Q9NR96 3/20 0.67
MAPT P10636 6/20 0.61
HTT P42858 6/20 0.61
KDM4E B2RXH2 5/20 0.61
ALDH1A1 P00352 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
USP2 O75604 2/20 0.61
KEAP1 Q14145 1/20 0.61
NFE2L2 Q16236 1/20 0.61

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
SCHEMBL4233357 0.87 MEN1 (0.70) KMT2AMEN1POLBNPC1NPSR1
SCHEMBL4235162 0.85 MEN1 (0.70) KMT2AMEN1POLBNPC1NPSR1
SCHEMBL5162007 0.84 KDM4E (0.68) KMT2AMEN1POLBNPC1NPSR1
SCHEMBL16213338 0.83 MEN1 (0.76) KMT2AMEN1POLBNPC1NPSR1
SCHEMBL6037133 0.83 MEN1 (0.68) KMT2AMEN1POLBNPC1NPSR1
SCHEMBL19450676 0.83 MEN1 (0.63) KMT2AMEN1POLBNPC1NPSR1
SCHEMBL13401373 0.82 MEN1 (0.62) KMT2AMEN1POLBNPC1NPSR1
SCHEMBL11200203 0.82 MEN1 (0.62) KMT2AMEN1POLBNPC1NPSR1
SCHEMBL10745800 0.82 MEN1 (0.61) KMT2AMEN1POLBNPC1NPSR1
SCHEMBL16213589 0.82 MEN1 (0.61) KMT2AMEN1POLBNPC1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107417616-A Methods and compositions for treating beta-thalassemia and sickle cell disease 中央研究院 2017-12-01 CN disclosed
US-20170290820-A1 METHODS AND COMPOSITIONS FOR TREATING BETA-THALASSEMIA AND SICKLE CELL DISEASE ACADEMIA SINICA (TW) 2017-10-12 US disclosed
US-20170290820-A1 METHODS AND COMPOSITIONS FOR TREATING BETA-THALASSEMIA AND SICKLE CELL DISEASE ACADEMIA SINICA (TW) 2017-10-12 US disclosed
US-20170290820-A1 METHODS AND COMPOSITIONS FOR TREATING BETA-THALASSEMIA AND SICKLE CELL DISEASE ACADEMIA SINICA (TW) 2017-10-12 US disclosed
US-9662324-B2 Methods and compositions for treating β-thalassemia and sickle cell disease ACADEMIA SINICA (TW) 2017-05-30 US disclosed
US-9662324-B2 Methods and compositions for treating β-thalassemia and sickle cell disease ACADEMIA SINICA (TW) 2017-05-30 US disclosed
US-9662324-B2 Methods and compositions for treating β-thalassemia and sickle cell disease ACADEMIA SINICA (TW) 2017-05-30 US disclosed
US-20160106728-A1 METHODS AND COMPOSITIONS FOR TREATING BETA-THALASSEMIA AND SICKLE CELL DISEASE ACADEMIA SINICA (TW) 2016-04-21 US disclosed
US-20160106728-A1 METHODS AND COMPOSITIONS FOR TREATING BETA-THALASSEMIA AND SICKLE CELL DISEASE ACADEMIA SINICA (TW) 2016-04-21 US disclosed
US-20160106728-A1 METHODS AND COMPOSITIONS FOR TREATING BETA-THALASSEMIA AND SICKLE CELL DISEASE ACADEMIA SINICA (TW) 2016-04-21 US disclosed
CN-105492428-A Methods and compositions for treating beta-thalassemia and sickle cell disease ACADEMIA SINICA 2016-04-13 CN disclosed
WO-2014179567-A2 METHODS AND COMPOSITIONS FOR TREATING BETA-THALASSEMIA AND SICKLE CELL DISEASE ACADEMIA SINICA (TW) 2014-11-06 WO disclosed
WO-2014179567-A2 METHODS AND COMPOSITIONS FOR TREATING BETA-THALASSEMIA AND SICKLE CELL DISEASE ACADEMIA SINICA (TW) 2014-11-06 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-20170290820-A1 METHODS AND COMPOSITIONS FOR TREATING BETA-THALASSEMIA AND SICKLE CELL DISEASE HBB, HBZ, HBG1 KMT2A 2095/4885MEN1 1989/4885POLB 526/4885
US-20160106728-A1 METHODS AND COMPOSITIONS FOR TREATING BETA-THALASSEMIA AND SICKLE CELL DISEASE HBB, HBZ, HBG1 KMT2A 2095/4885MEN1 1989/4885POLB 526/4885

“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.