SCHEMBL2522672

SCHEMBL2522672

C[C@@H](O)CN(C(=O)c1c(Cl)ncnc1Cl)c1ccc(OCc2ccccc2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.47
MRGPRX4 Q96LA9 4/20 0.40
CTSA P10619 1/20 0.40
S1PR5 Q9H228 1/20 0.38
ERN1 O75460 1/20 0.38
EGFR P00533 3/20 0.37
ERBB2 P04626 3/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 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
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 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
SCHEMBL2522702 0.86 MRGPRX4 (0.43) NR1H4MRGPRX4CTSAS1PR5ERN1
SCHEMBL2520431 0.86 NR1H4 (0.42) NR1H4MRGPRX4CTSAS1PR5ERN1
SCHEMBL2520424 0.86 NR1H4 (0.42) NR1H4MRGPRX4CTSAS1PR5ERN1
SCHEMBL2519287 0.84 ALOX5 (0.44) L3MBTL1LMNA
SCHEMBL2519288 0.84 ALOX5 (0.44) L3MBTL1LMNA
SCHEMBL2522249 0.81 DGAT1 (0.53) NR1H4MRGPRX4CTSAS1PR5ERN1
SCHEMBL12208443 0.75 NR1H4 (0.35) NR1H4TSHR
SCHEMBL2521362 0.74 ALDH1A1 (0.37) NR1H4ALDH1A1HPGDNPC1RAB9A
SCHEMBL17769265 0.72 S1PR5 (0.43) MRGPRX4CTSAS1PR5ERN1ALDH1A1
SCHEMBL372389 0.71 S1PR5 (0.48) MRGPRX4S1PR5ERN1ALDH1A1HPGD

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 3 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

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 NR1H4 582/4885MRGPRX4 415/4885CTSA 2287/4885

“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.