SCHEMBL525309

SCHEMBL525309

O=C1CCCc2occ(-c3cccc(Cl)c3Cl)c21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.40
BRD4 O60885 2/20 0.39
NOTUM Q6P988 3/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
CNR2 P34972 3/20 0.34
CYP2A6 P11509 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NSD2 O96028 1/20 0.31
POLB P06746 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.31
IGF1R P08069 1/20 0.31
MET P08581 1/20 0.31

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
SCHEMBL525386 0.88 BRD4 (0.47) DYRK1ABRD4ALDH1A1MAPTCYP2A6
SCHEMBL525420 0.76 EGFR (0.43) ALDH1A1MAOAMAOBALOX15
SCHEMBL525638 0.75 BRD4 (0.43) BRD4NOTUMALDH1A1MAPTMAOA
SCHEMBL525730 0.74 SRC (0.43) BRD4ALDH1A1MAPTPOLBL3MBTL1
SCHEMBL525412 0.73 PIM1 (0.38) BRD4NOTUMCYP2A6MAOAMAOB
SCHEMBL524971 0.73 ALDH1A1 (0.40) BRD4ALDH1A1MAPTMAOAMAOB
SCHEMBL525548 0.70 KDM4E (0.38) NOTUMMAPTMAOAMAOB
SCHEMBL525732 0.70 ALOX15 (0.42) BRD4ALDH1A1MAPTMAOBSMN1; SMN2
SCHEMBL525511 0.70 CHRNB4 (0.36) BRD4ALDH1A1MAOAMAOBSMN1; SMN2
SCHEMBL525198 0.70 MAPT (0.36) ALDH1A1MAPTMAOAMAOBSMN1; 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 8 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
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
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 DYRK1A 4366/4885BRD4 1780/4885NOTUM 4260/4885

“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.