SCHEMBL16213591

SCHEMBL16213591

O=C1c2cccc3c(Cl)ccc(c23)C(=O)N1c1cccc(Cl)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.71
ALDH1A1 P00352 7/20 0.71
KDM4E B2RXH2 6/20 0.71
MEN1 O00255 6/20 0.71
MAPT P10636 2/20 0.60
POLB P06746 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
CYP1A2 P05177 1/20 0.60
ERCC1 P07992 1/20 0.60
TSHR P16473 1/20 0.60
ALOX12 P18054 1/20 0.60
FEN1 P39748 1/20 0.60
ERCC4 Q92889 1/20 0.60
HPGD P15428 1/20 0.60
LMNA P02545 1/20 0.56
USP2 O75604 6/20 0.56
KEAP1 Q14145 4/20 0.56
NFE2L2 Q16236 4/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56

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
SCHEMBL16213350 0.88 KMT2A (0.67) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL2482431 0.88 KMT2A (0.71) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL16213402 0.87 KMT2A (0.67) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL19450641 0.85 KMT2A (0.64) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL16213279 0.85 KMT2A (0.64) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL16213548 0.84 KMT2A (0.62) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL16213249 0.83 KMT2A (0.58) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL19757543 0.82 KDM4E (0.60) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL16213414 0.81 KDM4E (0.59) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL16213260 0.81 KDM4E (0.59) KMT2AALDH1A1KDM4EMEN1MAPT

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 12 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

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 2095/4885ALDH1A1 921/4885KDM4E 4391/4885
US-20160106728-A1 METHODS AND COMPOSITIONS FOR TREATING BETA-THALASSEMIA AND SICKLE CELL DISEASE HBB, HBZ, HBG1 KMT2A 2095/4885ALDH1A1 921/4885KDM4E 4391/4885

“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.