SCHEMBL8618712

SCHEMBL8618712

CN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 14/20 0.73
KMT2A Q03164 14/20 0.73
NPC1 O15118 6/20 0.73
RAB9A P51151 5/20 0.73
POLB P06746 7/20 0.64
NPSR1 Q6W5P4 5/20 0.64
CCR6 P51684 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
LMNA P02545 3/20 0.64
PABPC1 P11940 2/20 0.64
ALDH1A1 P00352 2/20 0.64
S1PR4 O95977 2/20 0.61
S1PR1 P21453 2/20 0.61
HPGD P15428 2/20 0.61
XBP1 P17861 1/20 0.61
MAPT P10636 4/20 0.60
HTT P42858 4/20 0.60
AGTR1 P30556 1/20 0.60
AHR P35869 1/20 0.60
KDM4E B2RXH2 3/20 0.58

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
SCHEMBL9290406 0.88 MEN1 (0.61) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL7709407 0.84 KMT2A (1.00) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL13495357 0.84 MEN1 (0.68) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL10018568 0.84 MEN1 (0.68) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL14560563 0.82 MEN1 (0.76) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL7484059 0.82 MEN1 (0.61) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL7485990 0.82 MEN1 (0.61) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL14257646 0.82 MEN1 (0.69) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL14067864 0.81 MEN1 (0.68) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL29903439 0.81 MEN1 (0.68) MEN1KMT2ANPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0560447-B1 Thermoplastic composition based on polyphenylene ether and polyamide ENICHEM SPA (IT) 1998-05-13 EP claimed
EP-0534543-B1 Polyphenylene ether containing reactive end groups, process for preparing it and relevant thermoplastic compositions ENICHEM SPA (IT) 1997-12-17 EP claimed
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 MEN1 1989/4885KMT2A 2095/4885NPC1 687/4885
US-20160106728-A1 METHODS AND COMPOSITIONS FOR TREATING BETA-THALASSEMIA AND SICKLE CELL DISEASE HBB, HBZ, HBG1 MEN1 1989/4885KMT2A 2095/4885NPC1 687/4885

“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.