SCHEMBL4406084

SCHEMBL4406084

COC(=O)CN(Cc1cccc(C#N)c1)Cc1cccc(C#N)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEP1B Q16820 6/20 0.69
▸ MEP1A Q16819 3/20 0.69
▸ MCHR1 Q99705 1/20 0.46
▸ MAOB P27338 1/20 0.43
▸ VNN1 O95497 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ FFAR1 O14842 1/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ MAPK8 P45983 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ERCC1 P07992 1/20 0.41
▸ ERCC4 Q92889 1/20 0.41
▸ NR3C1 P04150 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41

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
SCHEMBL19510175 0.82 MEP1B (1.00) MEP1BMEP1ALMNANPSR1MEN1
SCHEMBL3926844 0.81 FFAR1 (0.54) MEP1BMEP1AVNN1LMNAGLA
SCHEMBL2662070 0.81 ERCC1 (0.52) MEP1BMEP1AVNN1LMNAGLA
SCHEMBL28733027 0.78 MEP1B (0.64) MEP1BMEP1AMAOBLMNAGLA
SCHEMBL29165966 0.78 FFAR1 (0.48) MEP1BMEP1AVNN1LMNAGLA
SCHEMBL27001696 0.77 MEP1B (0.51) MEP1BMEP1AMCHR1MAOBGLA
SCHEMBL7611509 0.77 NPC1 (0.50) MEP1BMEP1ALMNAMEN1KMT2A
SCHEMBL10534847 0.77 HSD11B1 (0.45) MEP1BMEP1AMAOB
SCHEMBL24968899 0.76 FFAR1 (0.46) MEP1BMEP1AVNN1LMNAGLA
Bromide SCHEMBL20547060 0.76 NPC1 (0.49) MEP1BMEP1ALMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553809-B2 Fc receptor modulators and uses thereof ILEXUS PTY LIMITED (AU) 2009-06-30 — — US disclosed
US-20060057144-A1 Fc receptor modulators and uses thereof ILEXUS PTY LIMITED (AU) 2006-03-16 — — US disclosed
US-6835753-B2 Administering to the patient for inhibiting Fc receptor binding of immunoglobulin a compound selected from aromatic, heteroaromatic, cyclic, bicyclic and an amino acid derivative or salt ILEXUS PTY LIMITED (AU) 2004-12-28 — — US disclosed
US-20020061844-A1 Administering to the patient for inhibiting Fc receptor binding of immunoglobulin a compound selected from aromatic, heteroaromatic, cyclic, bicyclic and an amino acid derivative or salt ILEXUS PTY LIMITED 2002-05-23 — — US disclosed
US-6355683-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE ILEXUS PTY LIMITED (AU) 2002-03-12 — — 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-20020061844-A1 Administering to the patient for inhibiting Fc receptor binding of immunoglobulin a compound selected from aromatic, heteroaromatic, cyclic, bicyclic and an amino acid derivative or salt FCGR2A, FCGR1A, FCER2 MEP1B 967/4885MEP1A 644/4885MCHR1 960/4885
US-20060057144-A1 Fc receptor modulators and uses thereof FCGR1A, FCER2, FCGR2A MEP1B 876/4885MEP1A 916/4885MCHR1 645/4885

“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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