SCHEMBL6988161

SCHEMBL6988161

C[S+]([O-])c1ccnc(-n2cc(Br)nc2-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.43
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMO O15229 1/20 0.35
PTGS1 P23219 3/20 0.35
MAPK9 P45984 1/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
XDH P47989 1/20 0.34
MAOB P27338 1/20 0.34
NPC1 O15118 1/20 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
SCHEMBL6986764 0.84 DYRK3 (0.42) PTGS2KDM4EHSD17B10MEN1ALDH1A1
SCHEMBL6990885 0.81 PTGS2 (0.33) PTGS2PTGS1
SCHEMBL6981902 0.69 MAPK9 (0.62) CYP2C9MAPK9FLT1FLT4KDR
SCHEMBL6986720 0.67 MAPK9 (0.67) MAPK9FLT1FLT4KDR
SCHEMBL11392116 0.63 HSD17B10 (0.47) KDM4EHSD17B10ALDH1A1CYP1A2KMT2A
SCHEMBL6982952 0.62 MAPK14 (0.39) PTGS2ALDH1A1SMN1; SMN2PTGS1
SCHEMBL10284676 0.62 POLB (0.40) KDM4EMEN1ALDH1A1KMT2AGRIN1
SCHEMBL13692259 0.62 ABL1 (0.58) KDM4EHSD17B10ALDH1A1CYP1A2KMO
SCHEMBL1720476 0.62 PTGS2 (0.49) PTGS2KDM4EHSD17B10MEN1ALDH1A1
SCHEMBL27779350 0.62 KDM4E (0.51) PTGS2KDM4EHSD17B10MEN1ALDH1A1

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
EP-1224180-B1 SUBSTITUTED AZOLES NOVARTIS AG (CH) 2003-07-02 EP disclosed
US-6579874-B2 P38 MAP kinase inhibitors; treating Tumor necrosis factor (TNF-alpha) and Interleukin-1 mediated diseases, such as rheumatoid arthritis; imidazole and oxazole derivatives NOVARTIS AG (CH) 2003-06-17 US disclosed
US-20020049220-A1 Substituted azoles NOVARTIS AG (CH) 2002-04-25 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-20020049220-A1 Substituted azoles MAPK1, MAPK4, MAP3K1 PTGS2 1162/4885KDM4E 1625/4885HSD17B10 2536/4885

“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.