SCHEMBL18804671

SCHEMBL18804671

C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CNC(=O)COCCOC(=O)C(N)Cc1cnc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.43
▸ SLC7A5 Q01650 1/20 0.43
▸ NLN Q9BYT8 2/20 0.38

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
SCHEMBL18804713 1.00 CYP3A4 (0.43) CYP3A4SLC7A5NLN
SCHEMBL18878681 0.80 CYP3A4 (0.51) CYP3A4SLC7A5NLN
SCHEMBL18804657 0.80 CYP3A4 (0.44) CYP3A4SLC7A5NLN
SCHEMBL18804654 0.80 CYP3A4 (0.44) CYP3A4SLC7A5NLN
SCHEMBL18878676 0.78 CYP3A4 (0.56) CYP3A4SLC7A5NLN
SCHEMBL28333429 0.74 CYP3A4 (0.57) CYP3A4SLC7A5NLN
SCHEMBL18804667 0.74 CYP3A4 (0.51) CYP3A4SLC7A5NLN
SCHEMBL18804665 0.74 HRH3 (0.46) CYP3A4SLC7A5
SCHEMBL18804666 0.74 HRH3 (0.46) CYP3A4SLC7A5
SCHEMBL18804668 0.74 HRH3 (0.46) CYP3A4SLC7A5

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-9795566-B2 Imidazole compound and liposome containing same FUJIFILM CORPORATION (JP) 2017-10-24 — — US disclosed
US-20170119667-A1 IMIDAZOLE COMPOUND AND LIPOSOME CONTAINING SAME FUJIFILM CORPORATION (JP) 2017-05-04 — — US disclosed
US-20150266851-A1 Multifunctional Radical Quenchers For The Treatment Of Mitochondrial Dysfunction ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY 2015-09-24 — — 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 (2 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-20150266851-A1 Multifunctional Radical Quenchers For The Treatment Of Mitochondrial Dysfunction GSR, SQOR, TXNRD2 CYP3A4 1068/4885SLC7A5 2351/4885NLN 114/4885
US-20170119667-A1 IMIDAZOLE COMPOUND AND LIPOSOME CONTAINING SAME NPC1L1, LETM1, STOML2 CYP3A4 2661/4885SLC7A5 76/4885NLN 233/4885

“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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