SCHEMBL3601221

SCHEMBL3601221

O=[N+]([O-])c1ccc2c(C(O)(CN3CCN(c4ccccn4)CC3)C(F)(F)F)cn(Cc3ccccc3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 5/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
NPBWR1 P48145 1/20 0.44
MCHR1 Q99705 1/20 0.44
KMT2A Q03164 1/20 0.43
GAA P10253 3/20 0.39
HTR7 P34969 1/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
MITF O75030 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
SCHEMBL3592230 0.92 ALDH1A1 (0.40) MAPTALDH1A1KDM4EL3MBTL1NPBWR1
SCHEMBL3597467 0.92 ALDH1A1 (0.43) MAPTALDH1A1KDM4EL3MBTL1NPBWR1
SCHEMBL3586209 0.89 ALDH1A1 (0.40) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL3594430 0.89 ALDH1A1 (0.44) MAPTALDH1A1KDM4EL3MBTL1POLB
SCHEMBL3585815 0.88 POLB (0.46) MAPTALDH1A1L3MBTL1NPBWR1MCHR1
SCHEMBL3598971 0.87 PDE4B (0.39) MAPTALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL3595274 0.86 HTR7 (0.39) MAPTALDH1A1KDM4EHTR7POLB
SCHEMBL3597934 0.86 CACNB4 (0.44) MAPTALDH1A1KDM4EKMT2ALMNA
SCHEMBL3600552 0.86 POLB (0.41) MAPTALDH1A1L3MBTL1KMT2APOLB
SCHEMBL3598946 0.85 ALDH1A1 (0.39) MAPTALDH1A1KDM4EL3MBTL1NPBWR1

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 4708/4885ALDH1A1 4118/4885KDM4E 1967/4885

“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.