SCHEMBL2597677

SCHEMBL2597677

B(Oc1cccc(N2CCOCC2)c1)Oc1cccc(N2CCOCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
AGXT P21549 1/20 0.53
KMO O15229 1/20 0.51
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
LGMN Q99538 1/20 0.44
FAAH O00519 3/20 0.43
AKR1C3 P42330 1/20 0.43
AR P10275 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NSD2 O96028 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 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
SCHEMBL1529196 0.84 AGXT (0.49) LMNAAGXTMAPTHTTMEN1
SCHEMBL1529262 0.82 AGXT (0.47) LMNAAGXTMAPTHTTMEN1
SCHEMBL1825155 0.82 MAPT (0.50) LMNAMAPTHTTMEN1NPC1
SCHEMBL27329825 0.81 LMNA (0.71) LMNAAGXTKMOMAPTHTT
SCHEMBL4834394 0.81 ADRB1 (0.65) LMNAAGXTKMOMAPTMEN1
SCHEMBL20627137 0.81 LMNA (0.55) LMNAAGXTKMOMAPTHTT
SCHEMBL2599616 0.79 ADRA2C (0.59) AGXTMAPTHTTNPC1ALDH1A1
Nitrogen SCHEMBL8429553 0.78 ADRB1 (0.61) LMNAAGXTKMOMAPTMEN1
SCHEMBL25493030 0.77 ALDH1A1 (0.54) LMNAAGXTKMOHTTMEN1
SCHEMBL12129236 0.77 KDM4E (0.59) LMNAAGXTKMOMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119552120-A Pyrazole and imidazole compounds for inhibiting IL-17 and rory 里亚塔医药公司 2025-03-04 CN disclosed
CN-112654610-B Pyrazole and imidazole compounds for inhibiting IL-17 and rory 里亚塔医药公司 2024-12-24 CN disclosed
CN-118660875-A Protein tyrosine phosphatase inhibitors, compositions, and methods of use 百时美施贵宝公司 2024-09-17 CN disclosed
CN-118515663-A Imidazopyridine or imidazopyrazine compounds, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2024-08-20 CN disclosed
CN-112654610-A Pyrazole and imidazole compounds for inhibiting IL-17 and ROR gamma 里亚塔医药公司 2021-04-13 CN disclosed
EP-3197895-B1 NAPHTHYRIDINE DERIVATIVES AS ALPHA V BETA 6 INTEGRIN ANTAGONISTS FOR THE TREATMENT OF FIBROTIC DISEASES GLAXOSMITHKLINE IP DEV LTD (GB) 2020-03-11 EP disclosed
US-10004724-B2 Compounds alpha v beta 6 integrin antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-06-26 US disclosed
US-20170290818-A1 NOVEL COMPOUNDS ALPHA v BETA 6 INTEGRIN ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-12 US disclosed
EP-3197895-A1 NOVEL COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-08-02 EP disclosed
WO-2016046241-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-31 WO disclosed
EP-2571872-B1 COMPOUNDS TREHERNE JOHNATHAN MARK (GB) 2014-12-31 EP disclosed
EP-2571872-A1 COMPOUNDS BTG International Limited (GB) 2013-03-27 EP disclosed
EP-2571856-A1 COMPOUNDS BTG International Limited (GB) 2013-03-27 EP disclosed
WO-2011144577-A1 COMPOUNDS SENEXIS LIMITED (GB) 2011-11-24 WO disclosed
WO-2011144578-A1 COMPOUNDS SENEXIS LIMITED (GB) 2011-11-24 WO 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 (2 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-10004724-B2 Compounds alpha v beta 6 integrin antagonists ITGAV, ITGB6, ITGB1 LMNA 2882/4885AGXT 4792/4885KMO 4813/4885
US-20170290818-A1 NOVEL COMPOUNDS ALPHA v BETA 6 INTEGRIN ANTAGONISTS ITGAV, ITGB6, ITGB1 LMNA 3680/4885AGXT 4808/4885KMO 4843/4885

“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.