SCHEMBL3348770

SCHEMBL3348770

NC(=O)c1cc(-c2cc[nH]n2)ccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.39
NOTUM Q6P988 2/20 0.38
CES2 O00748 1/20 0.36
KMO O15229 3/20 0.35
JAK2 O60674 2/20 0.35
IKBKB O14920 3/20 0.35
CHUK O15111 3/20 0.35
MAP2K4 P45985 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PARP1 P09874 3/20 0.34
AR P10275 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL8782192 0.80 IKBKB (0.53) CASP1IKBKBCHUKKDM4E
SCHEMBL3342673 0.78 ALPL (0.39) CASP1IKBKBCHUK
SCHEMBL3348775 0.78 NOTUM (0.43) NOTUMKMOKDM4E
SCHEMBL29629416 0.75 PARP1 (0.43) PARP1SCN9A
SCHEMBL27975335 0.75 HPGDS (0.44) CASP1CES2IKBKBCHUKHSD17B10
SCHEMBL29543460 0.72 JAK2 (0.43) CASP1CES2JAK2MAP2K4KDM4E
SCHEMBL15012113 0.72 NOTUM (0.61) NOTUM
SCHEMBL28242340 0.71 NOTUM (0.40) NOTUMKMO
SCHEMBL4515506 0.71 KMO (0.40) KMO
SCHEMBL3086806 0.71 MAPK1 (0.48) IKBKBCHUKMAP2K4ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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 (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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 CASP1 1208/4885NOTUM 4864/4885CES2 4407/4885

“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.