SCHEMBL22203822

SCHEMBL22203822

CC(C)C(=O)NCCCC(C)C(=O)NCCNCCN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RRM1 P23921 1/20 0.41
▸ GNAI3 P08754 1/20 0.39
▸ GNAO1 P09471 1/20 0.39
▸ GNAI1 P63096 1/20 0.39
▸ LMNA P02545 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA3 P07451 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ CA4 P22748 1/20 0.37
▸ CA6 P23280 1/20 0.37
▸ CA5A P35218 1/20 0.37
▸ CA7 P43166 1/20 0.37

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
SCHEMBL22203844 0.95 GNAI3 (0.44) DPP7CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL17170006 0.89 CA12 (0.46) DPP7CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL12204444 0.89 CA12 (0.46) DPP7CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL13784031 0.89 CA12 (0.46) DPP7CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL21782715 0.86 DPP7 (0.39) DPP7KMT2ARRM1GNAI3GNAO1
SCHEMBL23638723 0.81 CYP2D6 (0.44) DPP7CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL22171084 0.79 PAOX (0.47) CYP2D6CYP2C9CYP2C19KMT2ACA12
SCHEMBL22171086 0.79 PAOX (0.47) CYP2D6CYP2C9CYP2C19KMT2ACA12
SCHEMBL12204449 0.79 USP2 (0.47) DPP7KMT2ARRM1GNAI3GNAO1
SCHEMBL823169 0.78 CYP2D6 (0.50) DPP7CYP2D6CYP2C9CYP2C19KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174679-A1 NITRIC OXIDE-RELEASING ANTIBACTERIAL POLYMERS AND SCAFFOLDS FABRICATED THEREFROM AND METHODS PERTAINING THERETO THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2023-06-08 — — US disclosed
US-11421044-B2 Nitric oxide-releasing antibacterial polymers and scaffolds fabricated therefrom and methods pertaining thereto THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2022-08-23 — — US disclosed
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 (3 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-20230174679-A1 NITRIC OXIDE-RELEASING ANTIBACTERIAL POLYMERS AND SCAFFOLDS FABRICATED THEREFROM AND METHODS PERTAINING THERETO NOS2, NOS3, NOS1 DPP7 1938/4885CYP2D6 946/4885CYP2C9 2287/4885
US-20200216571-A1 NITRIC OXIDE-RELEASING ANTIBACTERIAL POLYMERS AND SCAFFOLDS FABRICATED THEREFROM AND METHODS PERTAINING THERETO NOS2, NOS3, NOS1 DPP7 1938/4885CYP2D6 946/4885CYP2C9 2287/4885
US-11421044-B2 Nitric oxide-releasing antibacterial polymers and scaffolds fabricated therefrom and methods pertaining thereto NOS2, NOS3, NOS1 DPP7 1938/4885CYP2D6 946/4885CYP2C9 2287/4885

“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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