SCHEMBL3586986

SCHEMBL3586986

O=[N+]([O-])c1ccc2c(C(O)(CN3CCC(O)CC3)C(F)(F)F)cn(Cc3ccccc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
ACHE P22303 5/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
BCHE P06276 1/20 0.39
ALOX5 P09917 1/20 0.39
MAOA P21397 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL3587730 0.95 KDM4E (0.40) KDM4EALDH1A1LMNAACHEMAPT
SCHEMBL13254030 0.92 ACHE (0.41) ACHEMAPTPKMMAPK1RAB9A
SCHEMBL3602621 0.92 ACHE (0.39) ALDH1A1ACHEMAPTPKMMAPK1
SCHEMBL3600226 0.92 MEN1 (0.50) LMNAACHEMAPTMAPK1MEN1
SCHEMBL3590840 0.92 ACHE (0.40) ACHEMAPTPKMMAPK1RAB9A
SCHEMBL3602162 0.92 ACHE (0.42) ACHEMAPTPKMMAPK1RAB9A
SCHEMBL3600324 0.92 TRPV6 (0.42) ACHEMAPTPKMMAPK1RAB9A
Hydrochloric Acid SCHEMBL3589977 0.92 ACHE (0.40) ACHEMAPTPKMMAPK1RAB9A
SCHEMBL3594430 0.91 ALDH1A1 (0.44) KDM4EALDH1A1LMNAMAPTMAPK1
SCHEMBL3597934 0.90 CACNB4 (0.44) KDM4EALDH1A1LMNAMAPTMEN1

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 KDM4E 1967/4885ALDH1A1 4118/4885LMNA 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.