SCHEMBL2733730

SCHEMBL2733730

[C-]#[N+]c1ccc(N(c2ccc(C#N)cc2)c2ccc(N(c3ccc(N4C(=O)C=CC4=O)cc3)c3ccc(N4C(=O)C=CC4=O)cc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 14/20 0.42
FAAH O00519 5/20 0.42
ELANE P08246 1/20 0.41
POLB P06746 1/20 0.38
HSP90AA1 P07900 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DDAH1 O94760 1/20 0.34
PGR P06401 2/20 0.34

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
SCHEMBL215641 0.88 MGLL (0.54) MGLLFAAHELANEPOLBHSP90AA1
SCHEMBL2734055 0.84 ELANE (0.41) ELANEPOLBPKMPGR
SCHEMBL13037674 0.83 CYP2A6 (0.38) PGR
SCHEMBL6135830 0.78 MGLL (0.68) MGLLFAAHELANEPOLBHSP90AA1
SCHEMBL13720708 0.77 TSHR (0.43) TDP1
SCHEMBL3672504 0.76 MGLL (0.71) MGLLFAAHHSP90AA1PKMMAPK1
SCHEMBL2734385 0.76 ALDH1A1 (0.41) MAPK1TDP1PGR
SCHEMBL2734058 0.76 ALDH1A1 (0.41) MAPK1TDP1PGR
SCHEMBL2734565 0.73 MEN1 (0.49) PKMMAPK1NPSR1TDP1PGR
SCHEMBL2734050 0.73 MEN1 (0.49) PKMMAPK1NPSR1TDP1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088932-B2 Pentaaryldiamine-containing bismaleimide compound and method of producing the compound INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-01-03 US disclosed
US-20100168442-A1 PENTAARYLDIAMINE-CONTAINING BISMALEIMIDE COMPOUND AND PRODUCING METHOD THEREOF INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-07-01 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-20100168442-A1 PENTAARYLDIAMINE-CONTAINING BISMALEIMIDE COMPOUND AND PRODUCING METHOD THEREOF ACMSD, ALDH7A1, ADSL MGLL 980/4885FAAH 324/4885ELANE 4780/4885

“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.