SCHEMBL19164718

SCHEMBL19164718

CNC(=N)CNC(=N)NC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.40
▸ EPHX1 P07099 9/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ KMT2A Q03164 1/20 0.37
▸ SIGMAR1 Q99720 2/20 0.37
▸ CYP3A4 P08684 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL4100399 0.78 SIGMAR1 (0.46) EPHX2EPHX1ALDH1A1KDM4ESIGMAR1
SCHEMBL10144656 0.77 EPHX1 (0.47) EPHX2EPHX1ALDH1A1KDM4EKMT2A
Iodide SCHEMBL27688322 0.77 SIGMAR1 (0.45) EPHX2EPHX1ALDH1A1KDM4ESIGMAR1
SCHEMBL10383489 0.76 ALDH1A1 (0.50) EPHX2EPHX1ALDH1A1KDM4EKMT2A
SCHEMBL4103966 0.76 SIGMAR1 (0.43) EPHX2EPHX1ALDH1A1KDM4ESIGMAR1
SCHEMBL2740861 0.73 EPHX1 (0.55) EPHX2EPHX1ALDH1A1KDM4ESIGMAR1
SCHEMBL14868300 0.73 SIGMAR1 (0.42) EPHX2EPHX1ALDH1A1KDM4ESIGMAR1
SCHEMBL26044029 0.72 — —
SCHEMBL14868296 0.71 SIGMAR1 (0.39) EPHX2EPHX1ALDH1A1KDM4ESIGMAR1
SCHEMBL3915783 0.71 EPHX1 (0.50) EPHX2EPHX1ALDH1A1KDM4ESIGMAR1

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-20170209394-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders ANJI PHARMACEUTICALS INC. 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-20170209394-A1 Biguanide Compositions and Methods of Treating Metabolic Disorders SLC5A2, SLC5A1, GCG EPHX2 1909/4885EPHX1 2126/4885ALDH1A1 1040/4885

“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.

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