SCHEMBL3595997

SCHEMBL3595997

O=[N+]([O-])c1ccc2c(C(O)(CN3CCC(S(=O)(=O)c4ccccc4)CC3)C(F)(F)F)cn(Cc3ccccc3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.45
KCNH2 Q12809 2/20 0.39
HTR2C P28335 1/20 0.39
ACHE P22303 5/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
BCHE P06276 1/20 0.37
ALOX5 P09917 1/20 0.37
MAOA P21397 1/20 0.37
SIGMAR1 Q99720 2/20 0.37

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
SCHEMBL3589454 0.93 HTR2A (0.38) HTR2AKCNH2HTR2CACHEBCHE
SCHEMBL3599159 0.92 ACHE (0.37) ACHEMAPTPKMMAPK1RAB9A
SCHEMBL3592890 0.91 ACHE (0.44) HTR2AHTR2CACHEBCHEALOX5
SCHEMBL3592888 0.91 ACHE (0.44) HTR2AHTR2CACHEBCHEALOX5
SCHEMBL3586986 0.89 KDM4E (0.43) ACHEMAPTPKMMAPK1RAB9A
SCHEMBL3579171 0.89 MAPK1 (0.39) MAPK1SIGMAR1
SCHEMBL13254030 0.89 ACHE (0.41) ACHEMAPTPKMMAPK1RAB9A
SCHEMBL3602621 0.89 ACHE (0.39) ACHEMAPTPKMMAPK1RAB9A
SCHEMBL3597869 0.88 ALDH1A1 (0.35) HTR2AKCNH2HTR2CACHEMAPT
SCHEMBL3600324 0.88 TRPV6 (0.42) ACHEMAPTPKMMAPK1RAB9A

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 4 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
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 HTR2A 4301/4885KCNH2 2033/4885HTR2C 3888/4885

“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.