Sugi Predict

Sugi Predict / Compounds / SCHEMBL3752136

SCHEMBL3752136

SCHEMBL3752136

CN(C)CCN1C(=O)c2cccc3c(N)ccc(c23)C1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.68
▸ KEAP1 Q14145 4/20 0.68
▸ NFE2L2 Q16236 4/20 0.68
▸ MEN1 O00255 4/20 0.68
▸ USP2 O75604 3/20 0.68
▸ ATM Q13315 2/20 0.68
▸ CYP1B1 Q16678 2/20 0.68
▸ TLR9 Q9NR96 1/20 0.67
▸ HEXA P06865 1/20 0.65
▸ HEXB P07686 1/20 0.65
▸ TERT O14746 2/20 0.62
▸ ALDH1A1 P00352 4/20 0.61
▸ POLB P06746 3/20 0.61
▸ KDM4E B2RXH2 3/20 0.61
▸ MAPT P10636 3/20 0.61
▸ PABPC1 P11940 3/20 0.61
▸ LMNA P02545 2/20 0.61
▸ FTO Q9C0B1 2/20 0.61
▸ NPC1 O15118 1/20 0.61
▸ CYP2D6 P10635 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
SCHEMBL16224764 0.92 KMT2A (0.73) KMT2AKEAP1NFE2L2MEN1USP2
SCHEMBL14864327 0.84 HEXA (0.67) KMT2AMEN1HEXAHEXBTERT
SCHEMBL9437193 0.84 KMT2A (0.78) KMT2AKEAP1NFE2L2MEN1USP2
SCHEMBL16213415 0.83 HEXA (0.65) KMT2AKEAP1NFE2L2MEN1USP2
SCHEMBL16213594 0.83 MEN1 (0.69) KMT2AMEN1USP2HEXAHEXB
SCHEMBL12133952 0.83 POLB (0.85) KMT2AMEN1CYP1B1HEXAHEXB
SCHEMBL12133953 0.83 ALDH1A1 (0.68) KMT2AMEN1HEXAHEXBTERT
SCHEMBL30926161 0.83 HEXA (0.60) KMT2AKEAP1NFE2L2MEN1USP2
SCHEMBL13964866 0.82 USP2 (0.70) KMT2AKEAP1NFE2L2MEN1USP2
SCHEMBL17557121 0.82 FTO (0.70) KMT2AKEAP1NFE2L2MEN1USP2

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9878984-B2 Anti-cancer compounds NORTHWESTERN UNIVERSITY (US) 2018-01-30 — — US disclosed
US-9878984-B2 Anti-cancer compounds NORTHWESTERN UNIVERSITY (US) 2018-01-30 — — US disclosed
US-9878984-B2 Anti-cancer compounds NORTHWESTERN UNIVERSITY (US) 2018-01-30 — — 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-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-20130225634-A1 ANTI-CANCER COMPOUNDS NORTHWESTERN UNIVERSITY (US) 2013-08-29 — — US disclosed
US-8420665-B2 Anti-cancer compounds NORTHWESTERN UNIVERSITY (US) 2013-04-16 — — US disclosed
US-8420665-B2 Anti-cancer compounds NORTHWESTERN UNIVERSITY (US) 2013-04-16 — — US disclosed
US-8420665-B2 Anti-cancer compounds NORTHWESTERN UNIVERSITY (US) 2013-04-16 — — US disclosed
US-20120294808-A1 Fluorescent Analogs of Neurotransmitters, Compositions Containing the Same and Methods of Using the Same UNIVERSITY OF MIAMI (US) 2012-11-22 — — US disclosed
US-20100303719-A1 ANTI-CANCER COMPOUNDS NORTHWESTERN UNIVERSITY (US) 2010-12-02 — — US disclosed
US-20100303719-A1 ANTI-CANCER COMPOUNDS NORTHWESTERN UNIVERSITY (US) 2010-12-02 — — US disclosed
US-20100303719-A1 ANTI-CANCER COMPOUNDS NORTHWESTERN UNIVERSITY (US) 2010-12-02 — — US disclosed
WO-2009089537-A2 ANTI-CANCER COMPOUNDS NORTHWESTERN UNIVERSITY (US) 2009-07-16 — — WO disclosed
WO-2009089537-A2 ANTI-CANCER COMPOUNDS NORTHWESTERN UNIVERSITY (US) 2009-07-16 — — 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 (5 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-20120294808-A1 Fluorescent Analogs of Neurotransmitters, Compositions Containing the Same and Methods of Using the Same HRH3, CHRNA4, HRH4 KMT2A 3478/4885KEAP1 3630/4885NFE2L2 4317/4885
US-20170290820-A1 METHODS AND COMPOSITIONS FOR TREATING BETA-THALASSEMIA AND SICKLE CELL DISEASE HBB, HBZ, HBG1 KMT2A 2095/4885KEAP1 357/4885NFE2L2 648/4885
US-20100303719-A1 ANTI-CANCER COMPOUNDS TP53, MKI67, MYC KMT2A 1803/4885KEAP1 1164/4885NFE2L2 456/4885
US-20130225634-A1 ANTI-CANCER COMPOUNDS TP53, MKI67, MYC KMT2A 1803/4885KEAP1 1164/4885NFE2L2 456/4885
US-20160106728-A1 METHODS AND COMPOSITIONS FOR TREATING BETA-THALASSEMIA AND SICKLE CELL DISEASE HBB, HBZ, HBG1 KMT2A 2095/4885KEAP1 357/4885NFE2L2 648/4885

“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.