SCHEMBL3029469

SCHEMBL3029469

[O]c1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
HIF1A Q16665 1/20 0.59
TSHR P16473 3/20 0.48
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 3/20 0.47
HSD17B10 Q99714 1/20 0.47
PTPRC P08575 1/20 0.45
S100A4 P26447 1/20 0.45
GPR35 Q9HC97 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP3A4 P08684 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSPB1 P04792 2/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL28252591 0.82 ALDH1A1 (0.69) ALDH1A1HIF1ATSHRLMNAKMT2A
SCHEMBL29379039 0.82 ALDH1A1 (0.69) ALDH1A1HIF1ATSHRLMNAKMT2A
SCHEMBL85604 0.82 ALDH1A1 (0.69) ALDH1A1HIF1ATSHRLMNAKMT2A
Hydrochloric Acid SCHEMBL30306150 0.80 ALDH1A1 (0.67) ALDH1A1HIF1ATSHRLMNAKMT2A
SCHEMBL8715422 0.79 TSHR (0.54) ALDH1A1HIF1ATSHRLMNAKMT2A
SCHEMBL31474855 0.78 ALDH1A1 (0.70) ALDH1A1HIF1ATSHRLMNAKMT2A
SCHEMBL1637306 0.78 ALDH1A1 (0.70) ALDH1A1HIF1ATSHRLMNAKMT2A
SCHEMBL307768 0.78 TDP1 (0.61) ALDH1A1HIF1ATSHRLMNAKMT2A
SCHEMBL17083672 0.78 ALDH1A1 (0.53) ALDH1A1HIF1ATSHRLMNAKMT2A
SCHEMBL5839662 0.77 ALDH1A1 (0.57) ALDH1A1HIF1ATSHRLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102942530-A Novel anti-tumor compound and medication composition thereof WU CHUNYONG 2013-02-27 CN claimed
US-8183383-B2 Protein tyrosine phosphatase 1B inhibitor, preparation methods and uses thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2012-05-22 US claimed
US-20100197927-A1 Protein Tyrosine Phosphatase 1B Inhibitor, Preparation Methods and Uses Thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (JP) 2010-08-05 US claimed
EP-2133342-A1 PROTEIN TYROSINE PHOSPHATASE 1B INHIBITOR, PREPARATION METHODS AND USES THEREOF Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) 2009-12-16 EP claimed
CN-113260691-B Luminescent solar concentrator comprising dithienyl pyridine thiadiazole compound 艾尼股份公司 2024-02-09 CN disclosed
WO-2023160638-A1 RIP1 MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-08-31 WO disclosed
US-11713314-B2 Disubstituted diaryloxybenzoheterodiazole compounds ENI S.P.A. (IT) 2023-08-01 US disclosed
US-11706979-B2 Disubstituted diaryloxybenzoheterodiazole compounds ENI S.P.A. (IT) 2023-07-18 US disclosed
EP-3737678-B1 PROCESS FOR THE PREPARATION OF DISUBSTITUTED DIARYLOXYBENZOHETERODIAZOLE COMPOUNDS ENI SPA (IT) 2022-06-29 EP disclosed
US-20220165959-A1 DISUBSTITUTED FLUOROARYLOXYBENZOHETERODIAZOLE COMPOUNDS ENI S.P.A. (IT) 2022-05-26 US disclosed
EP-3941995-A1 DISUBSTITUTED FLUOROARYLOXYBENZOHETERODIAZOLE COMPOUNDS ENI S.p.A. (IT) 2022-01-26 EP disclosed
US-20210408393-A1 Disubstituted Diaryloxybenzoheterodiazole Compounds ENI S.P.A. (IT) 2021-12-30 US disclosed
US-20100197927-A1 Protein Tyrosine Phosphatase 1B Inhibitor, Preparation Methods and Uses Thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (JP) 2010-08-05 US disclosed
EP-2133342-A1 PROTEIN TYROSINE PHOSPHATASE 1B INHIBITOR, PREPARATION METHODS AND USES THEREOF Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) 2009-12-16 EP disclosed
CN-100415725-C Pyrimidine compound and application thereof SUMITOMO CHEMICAL CO (JP) 2008-09-03 CN disclosed
US-7291730-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-06 US disclosed
US-20050107609-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY 2005-05-19 US disclosed
US-6838463-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-01-04 US disclosed
EP-1366026-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2004-12-01 EP disclosed
CN-1478082-A Pyrimidine compound and application thereof ס�ѻ�ѧ��ҵ��ʽ���� 2004-02-25 CN 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 (6 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-20210408393-A1 Disubstituted Diaryloxybenzoheterodiazole Compounds SCLY, NR2E3, CDK15 ALDH1A1 1702/4885HIF1A 4421/4885TSHR 1708/4885
US-11713314-B2 Disubstituted diaryloxybenzoheterodiazole compounds SCO2, NR3C2, CBR3 ALDH1A1 3243/4885HIF1A 2754/4885TSHR 493/4885
US-20050107609-A1 Pyrimidine compounds and their use TYMP, TYMS, UMPS ALDH1A1 783/4885HIF1A 3805/4885TSHR 472/4885
US-20220165959-A1 DISUBSTITUTED FLUOROARYLOXYBENZOHETERODIAZOLE COMPOUNDS LSS, DDC, HLCS ALDH1A1 1241/4885HIF1A 2744/4885TSHR 3538/4885
US-11706979-B2 Disubstituted diaryloxybenzoheterodiazole compounds SCLY, NR2E3, CDK15 ALDH1A1 1702/4885HIF1A 4421/4885TSHR 1708/4885
US-20100197927-A1 Protein Tyrosine Phosphatase 1B Inhibitor, Preparation Methods and Uses Thereof PTPA, PTPN7, PTPN5 ALDH1A1 2010/4885HIF1A 2494/4885TSHR 1386/4885

“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.