SCHEMBL22203844

SCHEMBL22203844

CC(C)C(=O)NCCCCC(C)C(=O)NCCNCCN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNAI3 P08754 1/20 0.44
▸ GNAO1 P09471 1/20 0.44
▸ GNAI1 P63096 1/20 0.44
▸ DPP7 Q9UHL4 2/20 0.44
▸ RRM1 P23921 1/20 0.43
▸ SIRT6 Q8N6T7 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PAOX Q6QHF9 2/20 0.37
▸ LMNA P02545 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA3 P07451 1/20 0.35
▸ ALOX15 P16050 1/20 0.35

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
SCHEMBL22203822 0.95 DPP7 (0.41) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL13784031 0.88 CA12 (0.46) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL12204444 0.88 CA12 (0.46) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL17170006 0.88 CA12 (0.46) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL23137979 0.81 DPP7 (0.46) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL21782715 0.81 DPP7 (0.39) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL22203862 0.81 GNAI3 (0.40) GNAI3GNAO1GNAI1DPP7SIRT6
SCHEMBL20374382 0.80 GNAI3 (0.54) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL22203843 0.80 PAOX (0.50) GNAI3GNAO1GNAI1CYP2C9CYP2C19
SCHEMBL11650885 0.79 PAOX (0.57) GNAI3GNAO1GNAI1DPP7RRM1

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-20200216571-A1 NITRIC OXIDE-RELEASING ANTIBACTERIAL POLYMERS AND SCAFFOLDS FABRICATED THEREFROM AND METHODS PERTAINING THERETO THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2020-07-09 — — 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-20200216571-A1 NITRIC OXIDE-RELEASING ANTIBACTERIAL POLYMERS AND SCAFFOLDS FABRICATED THEREFROM AND METHODS PERTAINING THERETO NOS2, NOS3, NOS1 GNAI3 2986/4885GNAO1 852/4885GNAI1 3249/4885

“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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