SCHEMBL14845490

SCHEMBL14845490

[N-]=[N+]=Nc1ccc(CN)cc1I

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.41
SLC6A3 Q01959 4/20 0.39
LOXL2 Q9Y4K0 1/20 0.34
PNMT P11086 1/20 0.33

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
SCHEMBL28385785 0.79 CSNK2A1 (0.42) LOXL2PNMT
SCHEMBL15128372 0.78 SLC6A3 (0.39) HTR1ASLC6A3
SCHEMBL27532591 0.74 PTGFR (0.48) HTR1ASLC6A3
SCHEMBL17295795 0.72 SLC6A3 (0.41) HTR1ASLC6A3
SCHEMBL15156019 0.72 SLC6A3 (0.41) HTR1ASLC6A3
SCHEMBL28115328 0.71 P2RY6 (0.37) LOXL2PNMT
SCHEMBL28879957 0.69 LOXL2 (0.46) LOXL2PNMT
SCHEMBL29875484 0.69 LOXL2 (0.46) LOXL2PNMT
SCHEMBL20553240 0.69 CA1 (0.48) LOXL2
SCHEMBL20522779 0.68 SLC6A3 (0.42) SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 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-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS CHRM3, ADRB1, ADRB3 HTR1A 1094/4885SLC6A3 1765/4885LOXL2 2252/4885

“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.