SCHEMBL3594430

SCHEMBL3594430

O=[N+]([O-])c1ccc2c(C(O)(CN3CCN(Cc4ccccc4)CC3)C(F)(F)F)cn(Cc3ccccc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 3/20 0.43
MAPK1 P28482 3/20 0.42
POLB P06746 1/20 0.42
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 1/20 0.41
KCNJ1 P48048 1/20 0.40

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
SCHEMBL3595274 0.94 HTR7 (0.39) ALDH1A1SMN1; SMN2LMNAMAPTTDP1
SCHEMBL3597934 0.94 CACNB4 (0.44) ALDH1A1SMN1; SMN2LMNAMAPTTDP1
SCHEMBL3586209 0.93 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2LMNAMAPTPOLB
SCHEMBL3596441 0.93 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNAMAPTTDP1
SCHEMBL3598200 0.92 KAT2B (0.38) ALDH1A1SMN1; SMN2LMNAMAPTTDP1
SCHEMBL3600408 0.92 KCNJ1 (0.47) ALDH1A1SMN1; SMN2LMNAMAPTTDP1
SCHEMBL13254029 0.92 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2LMNAMAPTTDP1
SCHEMBL3602275 0.91 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2LMNAMAPTTDP1
SCHEMBL3596985 0.91 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2LMNAMAPTTDP1
SCHEMBL3596984 0.91 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2LMNAMAPTTDP1

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 4118/4885SMN1; SMN2 4722/4885LMNA 4335/4885

“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.