SCHEMBL16224764

SCHEMBL16224764

CN(C)CCCN1C(=O)c2cccc3c(N)ccc(c23)C1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.73
MEN1 O00255 4/20 0.73
ALDH1A1 P00352 4/20 0.73
POLB P06746 3/20 0.73
KDM4E B2RXH2 3/20 0.73
MAPT P10636 3/20 0.73
LMNA P02545 2/20 0.73
PABPC1 P11940 2/20 0.73
NPC1 O15118 1/20 0.73
SMN1; SMN2 Q16637 3/20 0.67
NPSR1 Q6W5P4 2/20 0.67
TERT O14746 2/20 0.67
NR1I2 O75469 1/20 0.67
AHR P35869 1/20 0.67
RAD52 P43351 1/20 0.67
RCE1 Q9Y256 1/20 0.67
CCR6 P51684 1/20 0.67
KEAP1 Q14145 4/20 0.64
NFE2L2 Q16236 4/20 0.64
TLR9 Q9NR96 1/20 0.64

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
SCHEMBL3752136 0.92 KMT2A (0.68) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL3891083 0.85 KMT2A (0.74) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL22717100 0.84 MEN1 (0.73) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL22716950 0.84 POLB (0.73) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL20042977 0.84 POLB (1.00) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL10720237 0.84 KEAP1 (0.57) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL13964867 0.83 KMT2A (0.67) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL7646893 0.83 KMT2A (0.70) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL12023617 0.83 KMT2A (0.70) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL29086656 0.82 HEXA (0.67) KMT2AMEN1ALDH1A1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 1989/4885ALDH1A1 921/4885
US-20160106728-A1 METHODS AND COMPOSITIONS FOR TREATING BETA-THALASSEMIA AND SICKLE CELL DISEASE HBB, HBZ, HBG1 KMT2A 2095/4885MEN1 1989/4885ALDH1A1 921/4885

“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.