SCHEMBL1247645

SCHEMBL1247645

COc1ccc(/C=C2\NC(=O)NC2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 1.00
CLK1 P49759 2/20 1.00
DYRK1A Q13627 2/20 1.00
METAP1 P53582 1/20 0.73
POLB P06746 2/20 0.61
NCOA1 Q15788 1/20 0.61
NCOA3 Q9Y6Q9 1/20 0.61
RAB9A P51151 2/20 0.61
LMNA P02545 2/20 0.61
MAPT P10636 2/20 0.61
CSNK2A2 P19784 1/20 0.59
CSNK2B P67870 1/20 0.59
CSNK2A1 P68400 1/20 0.59
DYRK2 Q92630 1/20 0.59
DYRK1B Q9Y463 1/20 0.59
CGAS Q8N884 1/20 0.57
PIM1 P11309 1/20 0.57
AKR1B1 P15121 1/20 0.57
PIM2 Q9P1W9 1/20 0.57
NPC1 O15118 1/20 0.57

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
SCHEMBL15421958 1.00 GSK3B (1.00) GSK3BCLK1DYRK1AMETAP1POLB
SCHEMBL1247647 1.00 GSK3B (1.00) GSK3BCLK1DYRK1AMETAP1POLB
SCHEMBL12821679 0.85 GSK3B (0.81) GSK3BCLK1DYRK1AMETAP1POLB
SCHEMBL12821680 0.85 GSK3B (0.81) GSK3BCLK1DYRK1AMETAP1POLB
SCHEMBL2894955 0.84 METAP1 (1.00) GSK3BCLK1DYRK1AMETAP1POLB
SCHEMBL15421319 0.83 CLK1 (0.71) GSK3BCLK1DYRK1AMETAP1RAB9A
SCHEMBL15421317 0.83 CLK1 (0.71) GSK3BCLK1DYRK1AMETAP1RAB9A
SCHEMBL15421318 0.83 CLK1 (0.71) GSK3BCLK1DYRK1AMETAP1RAB9A
SCHEMBL11353972 0.83 GSK3B (0.71) GSK3BCLK1DYRK1AMETAP1POLB
SCHEMBL4469105 0.82 GSK3B (0.69) GSK3BCLK1DYRK1AMETAP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160102065-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREOF PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2016-04-14 US claimed
JP-5345713-A None JP disclosed
US-9896421-B2 Compound having skin-whitening, anti-oxidizing and PPAR activities and medical use thereof PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2018-02-20 US disclosed
EP-2832727-B1 NOVEL BENZYLIDENE AZOLIDINE DERIVATIVE OR SALT THEREOF ROHTO PHARMA (JP) 2016-09-07 EP disclosed
US-9422246-B2 Benzylidene azolidine derivative or salt thereof ROHTO PHARMACEUTICAL CO., LTD. (JP) 2016-08-23 US disclosed
US-20160102065-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREOF PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2016-04-14 US disclosed
US-9216148-B2 Compound having skin-whitening, anti-oxidizing and PPAR activities and medical use therefor PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2015-12-22 US disclosed
US-20150065728-A1 NOVEL BENZYLIDENE AZOLIDINE DERIVATIVE OR SALT THEREOF ROHTO PHARMACEUTICAL CO., LTD. (JP) 2015-03-05 US disclosed
EP-2832727-A1 NOVEL BENZYLIDENE AZOLIDINE DERIVATIVE OR SALT THEREOF Rohto Pharmaceutical Co., Ltd. (JP) 2015-02-04 EP disclosed
US-20140023603-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2014-01-23 US disclosed
WO-2004080481-A1 NOVEL NPH INSULIN PREPARATIONS NOVO NORDISK A/S (DK) 2004-09-23 WO disclosed
WO-2004080480-A1 PHARMACEUTICAL PREPARATIONS COMPRISING ACID-STABILISED INSULIN NOVO NORDISK A/S (DK) 2004-09-23 WO disclosed
WO-2004056347-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INSULIN AND LEGENDS OF INSULIN HEXAMER NOVO NORDISK A/S (DK) 2004-07-08 WO disclosed
EP-1429763-A2 NOVEL LIGANDS FOR THE HisB10 Zn2+ SITES OF THE R-STATE INSULIN HEXAMER NOVO NORDISK A/S (DK) 2004-06-23 EP disclosed
US-20030229120-A1 Novel ligands for the hisb10 zn2+ sites of the r-state insulin hexamer NOVO NORDISK A/S (DK) 2003-12-11 US disclosed
WO-2003027081-A2 NOVEL LIGANDS FOR THE HisB10 Zn2+ SITES OF THE R-STATE INSULIN HEXAMER NOVO NORDISK A/S (DK) 2003-04-03 WO disclosed
JP-H05345713-A EXTERNAL PREPARATION FOR SKIN KAO CORP 1993-12-27 JP disclosed
EP-0156582-B1 PROCESS FOR THE PREPARATION OF DL-BETA-ARYL AMINO ACIDS ALKALOIDA VEGYESZETI GYAR (HU) 1988-09-14 EP disclosed
US-4672127-A Process for production of hydantoin derivatives SHOWA DENKO KABUSHIKI KAISHA (JP) 1987-06-09 US disclosed
US-4647694-A Process for the preparation of D1-β-aryl amino acids ALKALOIDA VEGYESZETI GYAR (HU) 1987-03-03 US 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 (4 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-20140023603-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR PPARG, PPARA, PPARD GSK3B 2733/4885CLK1 4209/4885DYRK1A 3884/4885
US-20030229120-A1 Novel ligands for the hisb10 zn2+ sites of the r-state insulin hexamer IAPP, IRS1, GPR119 GSK3B 4545/4885CLK1 3972/4885DYRK1A 4301/4885
US-20160102065-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREOF PPARG, PPARA, TYR GSK3B 3223/4885CLK1 3520/4885DYRK1A 3727/4885
US-20150065728-A1 NOVEL BENZYLIDENE AZOLIDINE DERIVATIVE OR SALT THEREOF IL4I1, SLC6A19, SLC9B2 GSK3B 4546/4885CLK1 4412/4885DYRK1A 3649/4885

“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.