SCHEMBL3596799

SCHEMBL3596799

CCOC(=O)CCc1ccc(C(=O)N2CCN(CC(O)(c3cn(Cc4ccccc4)c4cc([N+](=O)[O-])ccc34)C(F)(F)F)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
GALR3 O60755 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 3/20 0.38
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38
PKM P14618 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CNR2 P34972 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL3602035 0.91 PKM (0.42) BLML3MBTL1SMN1; SMN2KDM4ENPC1
SCHEMBL3596201 0.91 ALDH1A1 (0.41) L3MBTL1SMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL3592165 0.90 HTR2A (0.45) KMT2AALDH1A1MEN1KCNJ1KCNH2
SCHEMBL13254307 0.88 L3MBTL1 (0.39) BLML3MBTL1SMN1; SMN2KDM4ENPC1
SCHEMBL3592162 0.88 ALDH1A1 (0.46) BLML3MBTL1SMN1; SMN2KDM4ENPC1
SCHEMBL3595332 0.87 LGALS1 (0.35) KMT2AALDH1A1LMNAMEN1KCNH2
SCHEMBL3597869 0.87 ALDH1A1 (0.35) KMT2AALDH1A1LMNAMEN1KCNH2
SCHEMBL3597146 0.87 MET (0.40) L3MBTL1KMT2AALDH1A1LMNAMEN1
SCHEMBL3602945 0.85 ALDH1A1 (0.34) KMT2AALDH1A1LMNAMEN1MAPT
SCHEMBL13282394 0.85 SMN1; SMN2 (0.38) BLML3MBTL1SMN1; SMN2KDM4ENPC1

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 4 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

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 BLM 4048/4885L3MBTL1 3816/4885SMN1; SMN2 4722/4885

“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.