SCHEMBL1757523

SCHEMBL1757523

O=Cc1ccc(=O)n(Cc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 6/20 0.49
MAPT P10636 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 2/20 0.48
HTT P42858 1/20 0.47
HDAC1 Q13547 2/20 0.44
PTGDR2 Q9Y5Y4 3/20 0.41
LMNA P02545 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
NPBWR1 P48145 1/20 0.39
POLB P06746 1/20 0.39
CHRM5 P08912 1/20 0.38
P2RX3 P56373 1/20 0.37

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
SCHEMBL23297365 0.74 HDAC1 (0.60) KDM4EMAPTHTR2CHTR2BSMN1; SMN2
SCHEMBL1758331 0.70 MEN1 (0.42) KDM4EALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL15814515 0.69 HDAC1 (0.45) MAPTHTR2CHTR2BHDAC1PTGDR2
SCHEMBL22475500 0.69 PTGDR2 (0.48) PTGDR2POLB
SCHEMBL31122804 0.68 NPBWR1 (0.52) KDM4EALDH1A1HTR2CHTR2BMKNK1
SCHEMBL1757769 0.68 PTGDR2 (0.47) KDM4EALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL5906079 0.66 HTR2C (0.46) KDM4EALDH1A1HTR2CHTR2BSMN1; SMN2
SCHEMBL2217122 0.65 UBE2N (0.43) ALDH1A1MAPT
SCHEMBL24208439 0.65 P2RY14 (0.48) HTR2CHTR2BPTGDR2
SCHEMBL8134371 0.64 CYP11B1 (0.62) KDM4EALDH1A1SMN1; SMN2MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011055270-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH LLC (US) 2011-05-12 WO disclosed
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 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-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS HRH2, CRHR2, CRHR1 KDM4E 4693/4885ALDH1A1 1069/4885MAPT 4275/4885

“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.