SCHEMBL16213632

SCHEMBL16213632

CC(=O)Nc1ccc2c3c(cccc13)C(=O)N(CCN(C)C)C2=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
KDM4E B2RXH2 2/20 0.60
GAA P10253 1/20 0.60
HEXA P06865 1/20 0.56
HEXB P07686 1/20 0.56
TERT O14746 1/20 0.54
POLB P06746 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
LMNA P02545 2/20 0.54
PABPC1 P11940 2/20 0.54
MAPT P10636 2/20 0.54
NPC1 O15118 1/20 0.54
FGFR1 P11362 2/20 0.53
KDR P35968 2/20 0.53
PDGFRA P16234 1/20 0.53
NPSR1 Q6W5P4 2/20 0.53
CCR6 P51684 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PLK1 P53350 7/20 0.53

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
SCHEMBL9437176 0.86 ALDH1A1 (0.64) ALDH1A1KDM4EGAAPOLBMEN1
SCHEMBL18028304 0.85 ALDH1A1 (0.62) ALDH1A1KDM4EGAAHEXAHEXB
SCHEMBL3130487 0.84 MAPT (0.70) ALDH1A1KDM4EGAAPOLBMEN1
SCHEMBL30926161 0.84 HEXA (0.60) ALDH1A1KDM4EHEXAHEXBTERT
SCHEMBL17557112 0.84 HEXA (0.49) ALDH1A1KDM4EGAAHEXAHEXB
SCHEMBL17557149 0.84 HEXA (0.55) ALDH1A1KDM4EGAAHEXAHEXB
SCHEMBL9437196 0.84 ALDH1A1 (0.67) ALDH1A1KDM4EGAAPOLBMEN1
SCHEMBL16213254 0.83 FGFR1 (0.64) ALDH1A1KDM4EHEXAHEXBTERT
SCHEMBL5964469 0.82 ALDH1A1 (0.71) ALDH1A1KDM4EGAAPOLBMEN1
SCHEMBL17694158 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EGAAHEXAHEXB

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 11 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-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
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 ALDH1A1 921/4885KDM4E 4391/4885GAA 24/4885
US-20160106728-A1 METHODS AND COMPOSITIONS FOR TREATING BETA-THALASSEMIA AND SICKLE CELL DISEASE HBB, HBZ, HBG1 ALDH1A1 921/4885KDM4E 4391/4885GAA 24/4885

“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.