SCHEMBL19171981

SCHEMBL19171981

CCNC(=O)NCCOCCOCCNC(=O)NC

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
EPHX2 P34913 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.37
EPHX1 P07099 5/20 0.36
ACHE P22303 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
FBP1 P09467 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
SCHEMBL13411699 0.90 KMT2A (0.52) MEN1KMT2AEPHX2SMN1; SMN2EPHX1
SCHEMBL6289746 0.89 MEN1 (0.44) MEN1KMT2AEPHX2SMN1; SMN2EPHX1
SCHEMBL14984056 0.89 EPHX1 (0.47) MEN1KMT2AEPHX2SMN1; SMN2EPHX1
SCHEMBL19171879 0.88 KMT2A (0.48) MEN1KMT2AEPHX2SMN1; SMN2EPHX1
SCHEMBL6289721 0.87 KMT2A (0.43) MEN1KMT2AEPHX2SMN1; SMN2EPHX1
SCHEMBL26669195 0.86 EPHX2 (0.51) MEN1KMT2AEPHX2SMN1; SMN2EPHX1
SCHEMBL6283536 0.86 MEN1 (0.41) MEN1KMT2AEPHX2SMN1; SMN2EPHX1
SCHEMBL22526230 0.85 MEN1 (0.44) MEN1KMT2AEPHX2SMN1; SMN2EPHX1
SCHEMBL1415863 0.85 EPHX2 (0.45) MEN1KMT2AEPHX2SMN1; SMN2EPHX1
SCHEMBL6290266 0.85 MEN1 (0.44) MEN1KMT2AEPHX2SMN1; SMN2EPHX1

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 MEN1 2007/4885KMT2A 1917/4885EPHX2 2226/4885

“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.