SCHEMBL525511

SCHEMBL525511

O=C1CCCc2occ(-c3cccc(I)c3)c21

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
BRD4 O60885 2/20 0.33
GALR1 P47211 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PIM1 P11309 1/20 0.30
PIM3 Q86V86 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL525732 0.83 ALOX15 (0.42) CHRNB4CHRNA3MAOBBRD4ALDH1A1
SCHEMBL525420 0.83 EGFR (0.43) CHRNB4CHRNA3MAOAMAOBALDH1A1
SCHEMBL525548 0.83 KDM4E (0.38) CHRNB4CHRNA3MAOAMAOBGALR1
SCHEMBL525198 0.83 MAPT (0.36) CHRNB4CHRNA3MAOAMAOBGALR1
SCHEMBL524806 0.80 TGFBR1 (0.34) ALDH1A1SMN1; SMN2PIM1PIM3
SCHEMBL525555 0.80 BRD4 (0.52) MAOBBRD4ALDH1A1SMN1; SMN2LMNA
SCHEMBL525411 0.80 PIM1 (0.46) MAOBBRD4GALR1ALDH1A1PIM1
SCHEMBL631629 0.79 TDP2 (0.44) MAOAMAOBALDH1A1SMN1; SMN2LMNA
SCHEMBL525730 0.76 SRC (0.43) BRD4ALDH1A1
SCHEMBL525293 0.76 HSD17B1 (0.39) BRD4ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315482-B2 Derivatives useful as antiviral agents INSTITUT PASTEUR (FR) 2016-04-19 US claimed
US-20130210886-A1 Novel Derivatives Useful as Antiviral Agents INSTITUT PASTEUR (FR) 2013-08-15 US claimed
EP-2598495-A1 NOVEL DERIVATIVES USEFUL AS ANTIVIRAL AGENTS Institut Pasteur (FR) 2013-06-05 EP claimed
EP-2420495-A1 Novel derivatives useful as antiviral agents Institut Pasteur (FR) 2012-02-22 EP claimed
WO-2012014181-A1 NOVEL DERIVATIVES USEFUL AS ANTIVIRAL AGENTS INSTITUT PASTEUR (FR) 2012-02-02 WO claimed
US-9315482-B2 Derivatives useful as antiviral agents INSTITUT PASTEUR (FR) 2016-04-19 US disclosed
US-20130210886-A1 Novel Derivatives Useful as Antiviral Agents INSTITUT PASTEUR (FR) 2013-08-15 US disclosed
EP-2598495-A1 NOVEL DERIVATIVES USEFUL AS ANTIVIRAL AGENTS Institut Pasteur (FR) 2013-06-05 EP disclosed
EP-2420495-A1 Novel derivatives useful as antiviral agents Institut Pasteur (FR) 2012-02-22 EP disclosed
WO-2012014181-A1 NOVEL DERIVATIVES USEFUL AS ANTIVIRAL AGENTS INSTITUT PASTEUR (FR) 2012-02-02 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-20130210886-A1 Novel Derivatives Useful as Antiviral Agents MAVS, IRF3, IFNAR1 CHRNB4 4773/4885CHRNA3 4732/4885MAOA 1263/4885

“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.