SCHEMBL4459351

SCHEMBL4459351

CCCCCc1ccccc1CBr

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.55
NR1H2 P55055 1/20 0.45
NR1H3 Q13133 1/20 0.45
ALOX5 P09917 1/20 0.44
PTGS2 P35354 1/20 0.44
BID P55957 3/20 0.42
MCL1 Q07820 3/20 0.42
BCL2L1 Q07817 2/20 0.42
BAK1 Q16611 2/20 0.42
KAT8 Q9H7Z6 2/20 0.42
TLR8 Q9NR97 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT5 Q92993 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
KCNH2 Q12809 2/20 0.42
THRA P10827 1/20 0.41

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
SCHEMBL17027766 0.98 LIPG (0.58) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL17027755 0.98 LIPG (0.58) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL9579594 0.98 LIPG (0.58) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL17027770 0.98 LIPG (0.58) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL17027739 0.98 LIPG (0.58) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL11354772 0.98 LIPG (0.58) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL1920592 0.93 LIPG (0.47) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL30037094 0.89 LIPG (0.65) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL82794 0.89 LIPG (0.65) LIPGNR1H2NR1H3ALOX5PTGS2
SCHEMBL10831024 0.87 LIPG (0.55) LIPGNR1H2NR1H3ALOX5PTGS2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117447459-A Method for synthesizing rotigorskite key intermediate by using chiral phase transfer catalyst as catalyst 瑞博(杭州)医药科技有限公司 2024-01-26 CN claimed
CN-112960656-A Preparation method of vanadium nitride nanoparticle composite material for lithium-sulfur battery 福建师范大学 2021-06-15 CN claimed
CN-117943115-A Chiral quaternary ammonium salt phase transfer catalyst, and preparation method and application thereof 西湖大学 2024-04-30 CN disclosed
CN-117550998-A Method for synthesizing S-2, 6-dimethyl tyrosine derivative by using novel chiral phase transfer catalyst 瑞博(杭州)医药科技有限公司 2024-02-13 CN disclosed
CN-117447459-A Method for synthesizing rotigorskite key intermediate by using chiral phase transfer catalyst as catalyst 瑞博(杭州)医药科技有限公司 2024-01-26 CN disclosed
CN-116854667-A Proteolytic targeted chimera for targeted degradation of PD-L1 and application thereof 浙江工业大学 2023-10-10 CN disclosed
CN-110869369-B Five-membered and six-membered nitrogen heteroaromatic ring compound, preparation method thereof, medicinal composition and application thereof 厦门大学 2022-06-28 CN disclosed
CN-112960656-A Preparation method of vanadium nitride nanoparticle composite material for lithium-sulfur battery 福建师范大学 2021-06-15 CN disclosed
US-20200172521-A1 Five-Membered-Fused-Six-Membered Aza-Aromatic Ring Compound, Preparation Method Thereof, Pharmaceutical Composition And Application Thereof Amcure Biosciences Pte. Ltd. (SG) 2020-06-04 US disclosed
EP-3626718-A1 FIVE- AND SIX-MEMBERED AZA-AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND APPLICATION Xiamen University (CN) 2020-03-25 EP disclosed
CN-110869369-A Five-membered and six-membered nitrogen heteroaromatic ring compound, preparation method thereof, medicinal composition and application thereof 厦门大学 2020-03-06 CN disclosed
US-20150065703-A1 7-MEMBERED FUSED HETEROCYCLES AND METHODS OF THEIR SYNTHESIS NORTHWESTERN UNIVERSITY (US) 2015-03-05 US disclosed
US-7566781-B2 Imidazopyridine compound BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-07-28 US disclosed
US-20070249659-A1 melanin concentrating hormone receptor antagonist; preventing or treating vascular system diseases, nervous system disorders, metabolic disorders, urogenital diseases, respiratory diseases disorders; N-(2-ethyl-3-methylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-4-(pyridin-2-ylmethoxy)benzamide BANYU PHARMACEUTICAL., LTD. (JP) 2007-10-25 US disclosed
EP-1748048-A1 IMIDAZOPYRIDINE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-31 EP disclosed
EP-0399633-B1 Leukotriene B4 derivatives, process for their preparation and their use as medicines SCHERING AG (DE) 1994-11-30 EP disclosed
US-5187286-A LEUKOTRIENE-B4 DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS PHARMACEUTICAL AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1993-02-16 US disclosed
WO-1990014329-A1 LEUKOTRIENE B4 DERIVATIVES, PROCESS FOR PRODUCING THEM AND THEIR USE AS DRUGS SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1990-11-29 WO disclosed
EP-0399633-A1 Leukotriene B4 derivatives, process for their preparation and their use as medicines SCHERING AKTIENGESELLSCHAFT (DE) 1990-11-28 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 (3 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-20070249659-A1 melanin concentrating hormone receptor antagonist; preventing or treating vascular system diseases, nervous system disorders, metabolic disorders, urogenital diseases, respiratory diseases disorders; N-(2-ethyl-3-methylimidazo[1,2-a]pyridin-6-yl)-3-fluoro-4-(pyridin-2-ylmethoxy)benzamide MC1R, MCHR2, MCHR1 LIPG 1106/4885NR1H2 728/4885NR1H3 1091/4885
US-20150065703-A1 7-MEMBERED FUSED HETEROCYCLES AND METHODS OF THEIR SYNTHESIS HTR7, CDK7, CBX7 LIPG 4012/4885NR1H2 2306/4885NR1H3 2349/4885
US-20200172521-A1 Five-Membered-Fused-Six-Membered Aza-Aromatic Ring Compound, Preparation Method Thereof, Pharmaceutical Composition And Application Thereof KRAS, NRAS, RASSF5 LIPG 3567/4885NR1H2 3553/4885NR1H3 3640/4885

“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.