SCHEMBL3593548

SCHEMBL3593548

Cn1c(CO)c(C(O)(C(=O)O)C(F)(F)F)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 4/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
GLA P06280 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
F2R P25116 1/20 0.39
F2RL3 Q96RI0 1/20 0.39
AGTR1 P30556 1/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 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
SCHEMBL3587313 0.84 MAPK1 (0.44) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL27746273 0.82 KMT2A (0.47) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL27725535 0.74 SMN1; SMN2 (0.41) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL3604201 0.71 ALDH1A1 (0.47) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL3596394 0.69 ALDH1A1 (0.51) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL26631811 0.68 KMT2A (0.50) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL3587646 0.67 ALDH1A1 (0.46) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL9301103 0.65 MAPK14 (0.56) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL23633268 0.64 KDM4E (1.00) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL28826079 0.64 KDM4E (0.46) KMT2AALDH1A1MEN1KDM4EMAPT

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 KMT2A 4721/4885ALDH1A1 4118/4885MEN1 3628/4885

“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.