SCHEMBL18172074

SCHEMBL18172074

NNc1ccccc1-c1cnco1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.54
ADRA1D P25100 1/20 0.50
ADRA1B P35368 1/20 0.50
PDK2 Q15119 2/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
MAP4K4 O95819 1/20 0.41
PTK2 Q05397 1/20 0.40
IMPDH2 P12268 5/20 0.40
IMPDH1 P20839 1/20 0.40
LMNA P02545 2/20 0.38
PKM P14618 2/20 0.38
NOTUM Q6P988 1/20 0.38
GAA P10253 1/20 0.38
ATR Q13535 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL4457202 0.76 MAP4K4 (0.49) ADRA1AADRA1DADRA1BPDK2CYP11B1
SCHEMBL30570522 0.76 MAP4K4 (0.49) ADRA1AADRA1DADRA1BPDK2CYP11B1
SCHEMBL18172000 0.73 MAP4K4 (0.41) ADRA1AADRA1DADRA1BPDK2CYP11B1
SCHEMBL26259975 0.72 CYP11B1 (0.48) ADRA1AADRA1DADRA1BPDK2CYP11B1
SCHEMBL26259988 0.72 MEN1 (0.48) ADRA1AADRA1DADRA1BPDK2CYP11B1
SCHEMBL18172044 0.72 ADRA1A (0.45) ADRA1AADRA1DADRA1BPDK2CYP11B1
SCHEMBL1328549 0.72 GAA (0.50) ADRA1AADRA1DADRA1BPDK2CYP11B1
SCHEMBL1903692 0.72 PDK2 (0.48) ADRA1AADRA1DADRA1BPDK2CYP11B1
SCHEMBL1363022 0.72 NOTUM (0.50) ADRA1APDK2CYP11B1CYP11B2PTK2
SCHEMBL10035045 0.72 IMPDH2 (0.51) ADRA1AADRA1DADRA1BPDK2CYP11B1

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 ADRA1A 1657/4885ADRA1D 806/4885ADRA1B 1577/4885

“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.