SCHEMBL4886599

SCHEMBL4886599

Nc1ccc(-n2nccc2C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
POLB P06746 2/20 0.40
PTGS2 P35354 3/20 0.38
PTGS1 P23219 1/20 0.38
CYP2C9 P11712 6/20 0.37
CYP2C18 P33260 5/20 0.37
LMNA P02545 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
THPO P40225 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP2C8 P10632 4/20 0.35
KIF11 P52732 1/20 0.35
MAPT P10636 1/20 0.35
XDH P47989 1/20 0.35
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL4882306 0.83 KDM4E (0.48) KDM4EPTGS2PTGS1LMNANPSR1
SCHEMBL598084 0.81 KDM4E (0.50) KDM4EPOLBPTGS2CYP2C9TDP1
SCHEMBL24303668 0.81 KDM4E (0.47) KDM4EPOLBPTGS2PTGS1LMNA
SCHEMBL28260479 0.81 KDM4E (0.47) KDM4EPTGS2PTGS1CYP2C9CYP2C18
SCHEMBL4854437 0.81 KDM4E (0.47) KDM4EPTGS2PTGS1CYP2C9LMNA
SCHEMBL4988967 0.81 KDM4E (0.56) KDM4EPOLBPTGS1CYP2C9MAPT
SCHEMBL3385723 0.77 PTGS2 (0.49) KDM4EPTGS2PTGS1CYP2C9LMNA
SCHEMBL8759282 0.77 KDM4E (0.44) KDM4EPOLBPTGS2PTGS1
SCHEMBL3874529 0.76 KDM4E (0.59) KDM4EPOLBPTGS2TSHRNFKB1
SCHEMBL4882670 0.75 KDM4E (0.42) KDM4EPOLBPTGS2PTGS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 2869/4885POLB 4035/4885PTGS2 429/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 KDM4E 2869/4885POLB 4035/4885PTGS2 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.