SCHEMBL2522702

SCHEMBL2522702

O=C(c1c(Cl)ncnc1Cl)N(CCO)c1ccc(OCc2ccccc2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.43
S1PR5 Q9H228 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
EGFR P00533 4/20 0.39
ERBB2 P04626 4/20 0.39
PTGER1 P34995 3/20 0.38
CTSA P10619 1/20 0.38
KEAP1 Q14145 2/20 0.38
NFE2L2 Q16236 2/20 0.38
ERN1 O75460 1/20 0.38
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
MDM2 Q00987 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2522672 0.86 NR1H4 (0.47) MRGPRX4S1PR5NR1H4EGFRERBB2
SCHEMBL2522249 0.86 DGAT1 (0.53) MRGPRX4S1PR5NR1H4EGFRERBB2
SCHEMBL2520424 0.81 NR1H4 (0.42) MRGPRX4S1PR5NR1H4EGFRERBB2
SCHEMBL2520431 0.81 NR1H4 (0.42) MRGPRX4S1PR5NR1H4EGFRERBB2
SCHEMBL12208122 0.79 MRGPRX4 (0.39) MRGPRX4HPGDHTTSMN1; SMN2
SCHEMBL15733008 0.78 DGAT1 (0.49) EGFRERBB2PTGER1
SCHEMBL16532032 0.78 DGAT1 (0.37)
SCHEMBL372389 0.71 S1PR5 (0.48) MRGPRX4S1PR5PTGER1ERN1NPC1
SCHEMBL17769265 0.71 S1PR5 (0.43) MRGPRX4S1PR5PTGER1CTSAKEAP1
SCHEMBL4575652 0.71 MRGPRX4 (0.44) MRGPRX4S1PR5PTGER1KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110251173-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2011-10-13 US disclosed
US-20110251173-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2011-10-13 US disclosed
US-20110251173-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2011-10-13 US disclosed
WO-2011121350-A1 4 -AMINO -7,8- DIHYDROPYRIMIDO [5, 4 - F] [1, 4] OXAZEPIN- 5 ( 6H) - ONE BASED DGAT1 INHIBITORS ASTRAZENECA AB (SE) 2011-10-06 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 (1 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-20110251173-A1 CHEMICAL COMPOUNDS DGAT1, DGAT2, SLC5A1 MRGPRX4 415/4885S1PR5 3347/4885NR1H4 582/4885

“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.