SCHEMBL18172000

SCHEMBL18172000

NNc1cccc(F)c1-c1cnco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.41
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HDAC4 P56524 1/20 0.36
IL2 P60568 1/20 0.36
PTK2 Q05397 1/20 0.36
PDK2 Q15119 1/20 0.35
ADRA1A P35348 2/20 0.35
ADORA2A P29274 1/20 0.34
NOTUM Q6P988 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ROCK2 O75116 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 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
SCHEMBL18172192 0.76 MEN1 (0.47) MAP4K4KMT2AMEN1HDAC4IL2
SCHEMBL18172035 0.74 ALDH1A1 (0.38) KMT2AMEN1HDAC4IL2PDK2
SCHEMBL18172074 0.73 ADRA1A (0.54) MAP4K4KMT2AMEN1PTK2PDK2
SCHEMBL9955245 0.67 PDK2 (0.48) MAP4K4KMT2AMEN1HDAC4PTK2
SCHEMBL38656167 0.67 PDK2 (0.48) MAP4K4KMT2AMEN1HDAC4PTK2
SCHEMBL5777067 0.66 IMPDH2 (0.56) MAP4K4KDM4ENPC1ALDH1A1MAPK1
SCHEMBL644836 0.65 NOTUM (0.52) MAP4K4KMT2AMEN1PTK2PDK2
SCHEMBL4126393 0.65 ALDH1A1 (0.39) KMT2AMEN1PDK2GAAKDM4E
SCHEMBL25943171 0.65 KDM4E (0.41) MAP4K4KMT2AMEN1PTK2PDK2
SCHEMBL13151143 0.65 MAP4K4 (0.68) MAP4K4KMT2AMEN1HDAC4PTK2

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-20180105509-A1 AMINO-SUBSTITUTED HETEROCYCLIC DERIVATIVES AS SODIUM CHANNEL INHIBITORS ALMIRALL, S.A. (ES) 2018-04-19 US disclosed
EP-3286178-A1 AMINO-SUBSTITUTED HETEROCYCLIC DERIVATIVES AS SODIUM CHANNEL INHIBITORS Almirall S.A. (ES) 2018-02-28 EP disclosed
WO-2016170009-A1 AMINO-SUBSTITUTED HETEROCYCLIC DERIVATIVES AS SODIUM CHANNEL INHIBITORS ALMIRALL, S.A. (ES) 2016-10-27 WO 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-20180105509-A1 AMINO-SUBSTITUTED HETEROCYCLIC DERIVATIVES AS SODIUM CHANNEL INHIBITORS SCN7A, SCN1A, SCN1B MAP4K4 1781/4885KMT2A 2837/4885MEN1 3272/4885

“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.