SCHEMBL1757397

SCHEMBL1757397

COC(=O)Cn1c(C)c(Br)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KMT2A Q03164 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 5/20 0.50
TSHR P16473 2/20 0.49
GAA P10253 2/20 0.48
HSD17B10 Q99714 1/20 0.47
RAB9A P51151 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
STAT3 P40763 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL11605995 0.85 KDM4E (0.59) KDM4ESMN1; SMN2KMT2ATDP1MEN1
SCHEMBL1757824 0.85 ALDH1A1 (0.50) KDM4EKMT2ATDP1MEN1ALDH1A1
SCHEMBL1759330 0.83 ALDH1A1 (0.64) KDM4EKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL1757667 0.83 HSD17B10 (0.58) KDM4ESMN1; SMN2KMT2ATDP1MEN1
SCHEMBL3202252 0.82 KDM4E (0.69) KDM4ESMN1; SMN2KMT2ATDP1MEN1
SCHEMBL11606942 0.81 KDM4E (0.55) KDM4ESMN1; SMN2KMT2ATDP1MEN1
SCHEMBL1757609 0.81 MAPT (0.48) KDM4ESMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL1757622 0.81 MAPT (0.58) KDM4EKMT2AMEN1ALDH1A1TSHR
SCHEMBL20590320 0.80 SMN1; SMN2 (0.65) KDM4ESMN1; SMN2KMT2ATDP1MEN1
SCHEMBL18157744 0.74 GABRP (0.45) KDM4EKMT2ATDP1MEN1ALDH1A1

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 4693/4885SMN1; SMN2 4493/4885KMT2A 3787/4885

“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.