SCHEMBL3586209

SCHEMBL3586209

O=[N+]([O-])c1ccc2c(C(O)(CN3CCN(c4ccccc4)CC3)C(F)(F)F)cn(Cc3ccccc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR1A P08908 2/20 0.38
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 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
SCHEMBL3600552 0.95 POLB (0.41) ALDH1A1LMNAL3MBTL1POLBMEN1
SCHEMBL3585815 0.94 POLB (0.46) ALDH1A1LMNAL3MBTL1POLBMEN1
SCHEMBL3594430 0.93 ALDH1A1 (0.44) ALDH1A1LMNAL3MBTL1POLBMAPT
SCHEMBL3600571 0.92 MAPT (0.44) ALDH1A1LMNAL3MBTL1MEN1KMT2A
SCHEMBL3590529 0.91 ALDH1A1 (0.45) ALDH1A1LMNAL3MBTL1POLBMEN1
SCHEMBL3595908 0.91 ALDH1A1 (0.46) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL3600408 0.90 KCNJ1 (0.47) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL3595274 0.90 HTR7 (0.39) ALDH1A1LMNAPOLBMAPTSMN1; SMN2
SCHEMBL3597934 0.90 CACNB4 (0.44) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL3592230 0.90 ALDH1A1 (0.40) ALDH1A1LMNAL3MBTL1POLBMEN1

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 ALDH1A1 4118/4885LMNA 4335/4885L3MBTL1 3816/4885

“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.