SCHEMBL19171984

SCHEMBL19171984

CCNC(=O)NCCOCCOCCNC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX2 P34913 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
EPHX1 P07099 5/20 0.35
TSHR P16473 1/20 0.34
NOS2 P35228 1/20 0.33
FBP1 P09467 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
SCHEMBL19173064 0.84 EPHX1 (0.43) KMT2AEPHX2SMN1; SMN2EPHX1TSHR
SCHEMBL8958306 0.84 CA2 (0.53) CA2MEN1KMT2AEPHX2SMN1; SMN2
SCHEMBL8958443 0.84 CA2 (0.53) CA2MEN1KMT2AEPHX2SMN1; SMN2
SCHEMBL8958158 0.84 CA2 (0.53) CA2MEN1KMT2AEPHX2SMN1; SMN2
SCHEMBL8958384 0.84 CA2 (0.53) CA2MEN1KMT2AEPHX2SMN1; SMN2
SCHEMBL19171981 0.83 MEN1 (0.44) MEN1KMT2AEPHX2SMN1; SMN2EPHX1
SCHEMBL6290266 0.83 MEN1 (0.44) MEN1KMT2AEPHX2SMN1; SMN2EPHX1
SCHEMBL1415863 0.83 EPHX2 (0.45) MEN1KMT2AEPHX2SMN1; SMN2EPHX1
SCHEMBL22526230 0.83 MEN1 (0.44) MEN1KMT2AEPHX2SMN1; SMN2EPHX1
SCHEMBL6290192 0.83 CA2 (0.44) CA2MEN1KMT2AEPHX2SMN1; SMN2

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-20170210736-A1 PHENYL TETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL TAISHO PHARMACEUTICAL CO., LTD (JP) 2017-07-27 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-20170210736-A1 PHENYL TETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL NHERF1, SLC9A3, SLC26A3 CA2 123/4885MEN1 2007/4885KMT2A 1917/4885

“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.