SCHEMBL2247388

SCHEMBL2247388

COc1ccc(-c2nc3ccccc3s2)cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 11/20 1.00
MAPT P10636 10/20 1.00
KDM4E B2RXH2 8/20 1.00
ALDH1A1 P00352 7/20 1.00
NPC1 O15118 6/20 1.00
KMT2A Q03164 6/20 1.00
MEN1 O00255 5/20 1.00
TP53 P04637 4/20 1.00
HPGD P15428 3/20 1.00
HCRTR1 O43613 2/20 1.00
HSD17B10 Q99714 2/20 1.00
BLM P54132 2/20 1.00
MAPK1 P28482 1/20 1.00
NPSR1 Q6W5P4 1/20 1.00
RAB9A P51151 7/20 0.80
GLA P06280 4/20 0.80
GAA P10253 3/20 0.80
PPARG P37231 1/20 0.80
NCOA2 Q15596 1/20 0.80
NCOA1 Q15788 1/20 0.80

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
SCHEMBL30504076 1.00 SMN1; SMN2 (1.00) SMN1; SMN2MAPTKDM4EALDH1A1NPC1
SCHEMBL30466257 0.89 SMN1; SMN2 (1.00) SMN1; SMN2MAPTKDM4EALDH1A1NPC1
SCHEMBL29576858 0.89 SMN1; SMN2 (1.00) SMN1; SMN2MAPTKDM4EALDH1A1NPC1
SCHEMBL1347142 0.89 SMN1; SMN2 (1.00) SMN1; SMN2MAPTKDM4EALDH1A1NPC1
SCHEMBL4799251 0.87 KDM4E (0.77) SMN1; SMN2MAPTKDM4EALDH1A1NPC1
SCHEMBL24140789 0.86 KDM4E (0.76) SMN1; SMN2MAPTKDM4EALDH1A1NPC1
SCHEMBL796265 0.85 MAPT (0.74) SMN1; SMN2MAPTKDM4EALDH1A1NPC1
SCHEMBL2136609 0.84 MAPT (0.73) SMN1; SMN2MAPTKDM4EALDH1A1NPC1
SCHEMBL4800801 0.84 SMN1; SMN2 (0.90) SMN1; SMN2MAPTKDM4EALDH1A1NPC1
SCHEMBL30884120 0.84 KDM4E (0.72) SMN1; SMN2MAPTKDM4EALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012108689-A2 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR 부산대학교 산학협력단 (KR) 2012-08-16 WO claimed
US-10005744-B2 Compounds for the treatment or prevention of breast cancer JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. (CN) 2018-06-26 US disclosed
US-20180134673-A1 COMPOUNDS FOR THE TREATMENT OR PREVENTION OF BREAST CANCER JIANGSU ATOM BIOSCIENCE AND PHARMACEUTICAL CO., LTD. (CN) 2018-05-17 US disclosed
EP-3296294-A1 COMPOUND FOR TREATING OR PREVENTING BREAST CANCER Jiangsu Atom Bioscience And Pharmaceutical Co., Ltd (CN) 2018-03-21 EP disclosed
EP-3251694-A1 DRUG COMBINATIONS FOR THE TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY Summit (Oxford) Limited (GB) 2017-12-06 EP disclosed
US-20150366776-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREOF PUSAN NAT UNIV IND COOP FOUND (KR) 2015-12-24 US disclosed
US-9155690-B2 Compound having skin-whitening, anti-oxidizing and PPAR activities and medical use thereof PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2015-10-13 US disclosed
US-8889881-B2 Compound having skin-whitening, anti-oxidizing and PPAR activities and medical use therefor Pusan National University Industry —University Cooperation Foundation (KR) 2014-11-18 US disclosed
US-20140037564-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR Pusan National University Indusrtyuniversity (KR) 2014-02-06 US disclosed
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2014-01-16 US disclosed
WO-2012104875-A1 BENZOTHIAZOLE HYBRIDS USEFUL AS ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-08-09 WO disclosed
CN-101420950-B Treatment of duchenne muscular dystrophy SUMMIT CORP PLC 2012-04-18 CN disclosed
US-20110195932-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy SUMMIT (OXFORD) LIMITED (GB) 2011-08-11 US disclosed
EP-2218464-A1 Compounds for non-invasive measurement of aggregates of amyloid peptides Technische Universität München (DE) 2010-08-18 EP disclosed
CN-101678107-A Pharmaceutical composition for treating Duchenne muscular dystrophy SUMMIT CORP PLC 2010-03-24 CN disclosed
CN-101420950-A Treatment of Duchenne muscular dystrophy SUMMIT CORP PLC (GB) 2009-04-29 CN disclosed
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT (OXFORD) LIMITED (GB) 2009-03-19 US disclosed
EP-1986633-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY Summit Corporation Plc (GB) 2008-11-05 EP disclosed
WO-2007091106-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2007-08-16 WO disclosed
US-20070154732-A1 Dendrimer compound and organic luminescent device employing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-07-05 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 (7 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-20150366776-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREOF PPARG, PPARA, TYR SMN1; SMN2 3671/4885MAPT 1956/4885KDM4E 3430/4885
US-20110195932-A1 Drug Combinations for the Treatment of Duchenne Muscular Dystrophy PYGM, CPT1B, GYS1 SMN1; SMN2 4/4885MAPT 3113/4885KDM4E 3311/4885
US-10005744-B2 Compounds for the treatment or prevention of breast cancer BRCA1, CYP19A1, PGR SMN1; SMN2 3153/4885MAPT 4167/4885KDM4E 287/4885
US-20140037564-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR PPARG, PPARA, PPARD SMN1; SMN2 4087/4885MAPT 2700/4885KDM4E 3588/4885
US-20140018320-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 SMN1; SMN2 9/4885MAPT 4858/4885KDM4E 2080/4885
US-20090075938-A1 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY NR0B1, NR0B2, NR3C1 SMN1; SMN2 9/4885MAPT 4858/4885KDM4E 2080/4885
US-20180134673-A1 COMPOUNDS FOR THE TREATMENT OR PREVENTION OF BREAST CANCER BRCA1, CYP19A1, PGR SMN1; SMN2 3153/4885MAPT 4167/4885KDM4E 287/4885

“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.