SCHEMBL3587956

SCHEMBL3587956

O=C(O)CCc1ccc(C(=O)C2CCN(CC(O)(c3cn(Cc4ccccc4)c4cc([N+](=O)[O-])ccc34)C(F)(F)F)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.49
ACHE P22303 1/20 0.38
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
PLA2G4A P47712 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
DRD4 P21917 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL3603360 0.93 HTR2A (0.48) HTR2AACHECHRM2CHRM3SIGMAR1
SCHEMBL3592165 0.91 HTR2A (0.45) HTR2AACHEPKMKMT2ATAAR1
SCHEMBL3598641 0.91 HTR2A (0.47) HTR2AACHEKDM4EDRD4CHRM2
SCHEMBL3593497 0.91 HTR2A (0.47) HTR2AKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL3589454 0.89 HTR2A (0.38) HTR2AACHEPLA2G4ASIGMAR1
SCHEMBL3602993 0.89 HTR2A (0.45) HTR2AKMT2A
SCHEMBL3602035 0.89 PKM (0.42) PKMKMT2ATAAR1PLA2G4AKDM4E
SCHEMBL3590079 0.88 EPHX2 (0.38) ACHEPKMPLA2G4ASIGMAR1
SCHEMBL3599937 0.88 MAPK1 (0.37) HTR2AACHEKMT2AKDM4ECHRM2
SCHEMBL3590840 0.87 ACHE (0.40) HTR2AACHEPKMSIGMAR1

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 HTR2A 4301/4885ACHE 3194/4885PKM 4269/4885

“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.