SCHEMBL13667402

SCHEMBL13667402

[N-]=[N+]=Nc1ccc(I)c2c(N=[N+]=[N-])ccc(I)c12

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.36
ABCC9 O60706 1/20 0.31
KCNJ11 Q14654 1/20 0.31

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
SCHEMBL13816909 0.71 SIGMAR1 (0.36) SLC6A3ABCC9KCNJ11
SCHEMBL29844568 0.71 SIGMAR1 (0.36) SLC6A3ABCC9KCNJ11
SCHEMBL15156019 0.70 SLC6A3 (0.41) SLC6A3
SCHEMBL27663500 0.70 ABCC9 (0.39) SLC6A3ABCC9KCNJ11
SCHEMBL17295795 0.70 SLC6A3 (0.41) SLC6A3
SCHEMBL30949533 0.70 ABCC9 (0.39) SLC6A3ABCC9KCNJ11
SCHEMBL29498995 0.67 PDE4A (0.31) SLC6A3
SCHEMBL14845490 0.66 HTR1A (0.41) SLC6A3
SCHEMBL20522779 0.66 SLC6A3 (0.42) SLC6A3
SCHEMBL18586775 0.66 PDE2A (0.41) SLC6A3ABCC9KCNJ11

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-20110038890-A1 Cellular And Viral Inactivation THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2011-02-17 US disclosed
US-20110038890-A1 Cellular And Viral Inactivation THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2011-02-17 US disclosed
WO-2009131606-A2 VIRAL INACTIVATION USING CROSSLINKERS AND DETERGENTS BELANGER JULIE M (US) 2009-10-29 WO 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-20110038890-A1 Cellular And Viral Inactivation PDIA5, HAVCR2, MAVS SLC6A3 4825/4885ABCC9 4538/4885KCNJ11 3689/4885

“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.