SCHEMBL1763464

SCHEMBL1763464

C=CCc1ncc(Br)cn1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL11407432 0.76 XDH (0.30)
SCHEMBL458710 0.76 IMPDH2 (0.33)
SCHEMBL8994063 0.76 XDH (0.34) KDM4E
SCHEMBL3407215 0.76 ALDH1A1 (0.39) NPC1KDM4E
SCHEMBL15265720 0.72
SCHEMBL175905 0.72
SCHEMBL14128749 0.71 NPC1 (0.41) NPC1KDM4E
SCHEMBL10824003 0.71 KDM4E (0.42) NPC1KDM4E
SCHEMBL29376868 0.71
SCHEMBL10630213 0.71 ALDH1A1 (0.48) KDM4E

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-20220204976-A1 RNAi Agents for Inhibiting Expression of HIF-2 alpha (EPAS1), Compositions Thereof, and Methods of Use SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2022-06-30 US disclosed
US-20210093725-A1 INTEGRIN TARGETING LIGANDS AND USES THEREOF SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2021-04-01 US disclosed
WO-2020146521-A2 RNAI AGENTS FOR INHIBITING EXPRESSION OF HIF-2 ALPHA (EPAS1), COMPOSITIONS THEREOF, AND METHODS OF USE Arrowhead Pharmaceuticals, Inc. (US) 2020-07-16 WO disclosed
CN-110642788-A Preparation method of 5-bromo-2-substituted pyrimidine compound 广州大学 2020-01-03 CN disclosed
US-10323017-B2 Antioxidants and methods to maximize performance Alma Mater Studiorum—Universita di Bologna (IT) 2019-06-18 US disclosed
US-20180022729-A1 Antioxidants and Methods to Maximize Performance UNIVERSITY OF OTTAWA (CA) 2018-01-25 US disclosed
WO-2016123717-A1 ANTIOXIDANTS AND METHODS TO MAXIMIZE PERFORMANCE UNIVERSITY OF OTTAWA (CA) 2016-08-11 WO disclosed
US-20160207918-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-07-21 US disclosed
US-20160152615-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-06-02 US disclosed
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-03-17 US disclosed
US-20040110785-A1 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2004-06-10 US disclosed
WO-2004014380-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-19 WO disclosed
EP-1363705-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-26 EP disclosed
US-20030207910-A1 Treatment of HIV and AIDS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2003-11-06 US disclosed
US-20030069266-A1 Aids therapy VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2003-04-10 US disclosed
WO-2002062423-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-15 WO disclosed
US-4898968-A INSECTICIDES, MITICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-02-06 US disclosed
US-4760143-A Contining pyrimidine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-07-26 US disclosed
US-4661488-A Pyrimidine substituted-2,2-dimethylcyclopropane carboxylates useful for combating insect and acarine pests at a locus IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-04-28 US disclosed
EP-0162538-A2 Cyclopropane derivates IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-11-27 EP 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 (10 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-20160152615-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IMPDH2, IDO1 NPC1 1381/4885KDM4E 1154/4885
US-20040110785-A1 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives ITPA, IDO1, IDO2 NPC1 1827/4885KDM4E 1380/4885
US-20180022729-A1 Antioxidants and Methods to Maximize Performance CAT, AOX1, SOD1 NPC1 3715/4885KDM4E 2237/4885
US-20210093725-A1 INTEGRIN TARGETING LIGANDS AND USES THEREOF ITGAV, ITGA5, ITGB5 NPC1 2355/4885KDM4E 3001/4885
US-20220204976-A1 RNAi Agents for Inhibiting Expression of HIF-2 alpha (EPAS1), Compositions Thereof, and Methods of Use EPAS1, HIF1AN, HIF1A NPC1 2766/4885KDM4E 758/4885
US-10323017-B2 Antioxidants and methods to maximize performance CAT, AOX1, SOD1 NPC1 3715/4885KDM4E 2237/4885
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 NPC1 1784/4885KDM4E 696/4885
US-20030069266-A1 Aids therapy ENTPD5, CCR5, ITPA NPC1 629/4885KDM4E 1105/4885
US-20160207918-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP NPC1 1966/4885KDM4E 761/4885
US-20030207910-A1 Treatment of HIV and AIDS CD4, CCR5, IDO1 NPC1 713/4885KDM4E 1025/4885

“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.