SCHEMBL525386

SCHEMBL525386

O=C1CCCc2occ(-c3ccccc3Cl)c21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.47
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2A6 P11509 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
DYRK1A Q13627 1/20 0.38
PTPRC P08575 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CSNK2B P67870 3/20 0.34
CSNK2A1 P68400 3/20 0.34
CSNK2A2 P19784 2/20 0.34
ABCG2 Q9UNQ0 2/20 0.34
KCNA3 P22001 2/20 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
SCHEMBL525309 0.88 DYRK1A (0.40) BRD4ALDH1A1POLBMAPTALOX15
SCHEMBL525412 0.78 PIM1 (0.38) BRD4CYP2A6MAOAMAOBSMN1; SMN2
SCHEMBL525638 0.77 BRD4 (0.43) BRD4ALDH1A1POLBMAPTALOX15
SCHEMBL525730 0.77 SRC (0.43) BRD4ALDH1A1POLBMAPTL3MBTL1
SCHEMBL525420 0.75 EGFR (0.43) ALDH1A1ALOX15MAOAMAOBKCNA3
SCHEMBL524971 0.75 ALDH1A1 (0.40) BRD4ALDH1A1POLBMAPTL3MBTL1
SCHEMBL525075 0.72 TSHR (0.43) BRD4ALDH1A1POLBMAPTHSD17B10
SCHEMBL525511 0.70 CHRNB4 (0.36) BRD4ALDH1A1MAOAMAOBSMN1; SMN2
SCHEMBL525548 0.70 KDM4E (0.38) MAPTMAOAMAOB
SCHEMBL525732 0.70 ALOX15 (0.42) BRD4ALDH1A1MAPTALOX15MAPK1

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 BRD4 1780/4885ALDH1A1 1663/4885POLB 52/4885

“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.