SCHEMBL3585003

SCHEMBL3585003

CCOC(=O)C(O)(c1c(CNCc2ccc(OC)cc2)n(C)c2ccccc12)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.44
RXFP1 Q9HBX9 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.40
DNM1 Q05193 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL28776621 0.82 TP53 (0.44) TP53RXFP1KMT2AMEN1DNM1
SCHEMBL3587313 0.80 MAPK1 (0.44) KMT2AMEN1ALDH1A1KDM4EGLA
SCHEMBL3596394 0.77 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1KDM4EGLA
SCHEMBL3587646 0.74 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1KDM4EGLA
SCHEMBL3604201 0.73 ALDH1A1 (0.47) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL3601368 0.70 MAPT (0.45) KMT2AALDH1A1KDM4E
SCHEMBL1560218 0.69 KMT2A (0.48) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL13254019 0.66 GLA (0.75) ALDH1A1GLA
SCHEMBL28760641 0.66 KMT2A (0.50) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL28760642 0.66 KMT2A (0.50) KMT2AMEN1GAAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 TP53 3579/4885RXFP1 338/4885KMT2A 4721/4885

“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.