SCHEMBL3600571

SCHEMBL3600571

COc1ccc(N2CCN(CC(O)(c3cn(Cc4ccccc4)c4cc([N+](=O)[O-])ccc34)C(F)(F)F)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
GFER P55789 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
ALDH1A1 P00352 6/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 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
SCHEMBL3595908 0.93 ALDH1A1 (0.46) MAPTKMT2AMEN1GFERALDH1A1
SCHEMBL3586209 0.92 ALDH1A1 (0.40) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL3600552 0.91 POLB (0.41) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL3585815 0.88 POLB (0.46) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL3594905 0.88 LMNA (0.48) MAPTALDH1A1LMNAMAPK1
SCHEMBL3590529 0.87 ALDH1A1 (0.45) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL3594430 0.87 ALDH1A1 (0.44) MAPTALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL3595274 0.86 HTR7 (0.39) MAPTALDH1A1LMNAKDM4EMAPK1
SCHEMBL3602993 0.86 HTR2A (0.45) KMT2AMEN1ALDH1A1
SCHEMBL3596201 0.86 ALDH1A1 (0.41) MAPTKMT2AMEN1ALDH1A1LMNA

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 MAPT 4708/4885KMT2A 4721/4885MEN1 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.