SCHEMBL4879569

SCHEMBL4879569

O=[N+]([O-])c1ccc(-n2nccc2C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.48
KDM4E B2RXH2 1/20 0.45
PTGS2 P35354 1/20 0.45
MAPT P10636 4/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
XDH P47989 1/20 0.41
POLB P06746 2/20 0.41
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ACHE P22303 1/20 0.39
SRC P12931 1/20 0.39
BRAF P15056 1/20 0.39
KDR P35968 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
SCHEMBL15559262 0.77 PTGS1 (0.54) PTGS1PTGS2MAPTNPC1RAB9A
SCHEMBL4882306 0.76 KDM4E (0.48) PTGS1KDM4EPTGS2KMT2AMEN1
SCHEMBL5212572 0.76 PTGS1 (0.66) PTGS1PTGS2MAPTPOLB
SCHEMBL8335743 0.76 MAPT (0.47) KDM4EMAPTKMT2AMEN1NPC1
SCHEMBL5408760 0.76 POLB (0.55) KDM4EMAPTKMT2AMEN1NPC1
SCHEMBL24303668 0.75 KDM4E (0.47) PTGS1KDM4EPTGS2MAPTKMT2A
SCHEMBL4854437 0.75 KDM4E (0.47) PTGS1KDM4EPTGS2MAPTKMT2A
SCHEMBL598084 0.75 KDM4E (0.50) KDM4EPTGS2POLBTDP1
SCHEMBL4886599 0.75 KDM4E (0.47) PTGS1KDM4EPTGS2MAPTNPSR1
SCHEMBL28260479 0.75 KDM4E (0.47) PTGS1KDM4EPTGS2MAPTKMT2A

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
CN-103965183-A Fluorine-containingoxazolidinonecompound as well as preparation method and application thereof SHANGHAI INST TECHNOLOGY 2014-08-06 CN disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 US 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 (2 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-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 PTGS1 426/4885KDM4E 2869/4885PTGS2 429/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 PTGS1 426/4885KDM4E 2869/4885PTGS2 429/4885

“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.