SCHEMBL1757586

SCHEMBL1757586

COC(=O)C1=NN(Cc2ccc(C(F)(F)F)cc2)C(=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
P2RX7 Q99572 1/20 0.39
NPBWR1 P48145 1/20 0.39
CYP3A4 P08684 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 2/20 0.39
RORC P51449 1/20 0.39
AGTR1 P30556 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38

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
SCHEMBL1757930 0.84 PDE4B (0.52) KDM4EPOLBHTTSMN1; SMN2MAPT
SCHEMBL1757182 0.76 POLB (0.44) KDM4EPOLBHTTSMN1; SMN2MAPT
SCHEMBL1758094 0.73 PTGDR2 (0.49) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL17684528 0.71 CCR9 (0.48) KDM4EHTTNPBWR1MAPTALDH1A1
SCHEMBL2218027 0.70 KDM4E (0.52) KDM4EPOLBSMN1; SMN2MAPTMAPK1
SCHEMBL17684894 0.70 KDM4E (0.46) KDM4ENPBWR1CYP3A4MAPTMAPK1
SCHEMBL30736811 0.69 KDM4E (0.51) KDM4EHTTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL16304448 0.69 CYP11B1 (0.66) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL17684737 0.69 AGTR1 (0.46) KDM4ENPBWR1CYP3A4MAPTAGTR1
SCHEMBL17684714 0.69 CCR9 (0.44) KDM4EPOLBCYP3A4MAPTMAPK1

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 4693/4885POLB 4542/4885HTT 4191/4885

“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.