SCHEMBL22236308

SCHEMBL22236308

C=C(C)C(=O)NCCCNCc1c2ccccc2c(CN)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
GRIN1 Q05586 3/20 0.39
GRIN2A Q12879 3/20 0.39
GRIN2B Q13224 3/20 0.39
SLC2A1 P11166 2/20 0.37
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
EPHX2 P34913 1/20 0.34
CHRNB2 P17787 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
SCHEMBL12591424 0.93 SLC2A1 (0.41) CA12CA1CA2CA3CA4
SCHEMBL20320275 0.86 SLC2A1 (0.39) CA12CA1CA2CA3CA4
SCHEMBL31514815 0.86 SLC2A1 (0.39) CA12CA1CA2CA3CA4
SCHEMBL13060489 0.86 S1PR5 (0.46) SLC2A1ALDH1A1SMN1; SMN2
SCHEMBL1506811 0.85 ABCB1 (0.40) CA12CA1CA2CA3CA4
SCHEMBL20346197 0.83 SLC2A1 (0.37) SLC2A1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL31514766 0.83 SLC2A1 (0.37) SLC2A1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL20346221 0.83 SLC2A1 (0.37) CA12CA1CA2CA3CA4
SCHEMBL1506805 0.83 ALDH1A1 (0.38) SLC2A1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL20320675 0.82 PPARG (0.37) SLC2A1ALDH1A1SMN1; SMN2KDM4E

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-10717751-B2 Near-IR glucose sensors PROFUSA, INC. (US) 2020-07-21 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-10717751-B2 Near-IR glucose sensors IRS1, G6PD, SLC2A8 CA12 133/4885CA1 180/4885CA2 433/4885

“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.