SCHEMBL525638

SCHEMBL525638

O=C1CCCc2occ(-c3ccc(Cl)cc3)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
AKR1C3 P42330 1/20 0.38
AKR1C1 Q04828 1/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
PIK3CA P42336 1/20 0.38
SRC P12931 1/20 0.37
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PTGS2 P35354 3/20 0.33
KDM4E B2RXH2 2/20 0.33
PTGS1 P23219 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
SCHEMBL524971 0.86 ALDH1A1 (0.40) BRD4POLBKMT2ATDP1L3MBTL1
SCHEMBL525730 0.84 SRC (0.43) BRD4POLBL3MBTL1PIK3CASRC
SCHEMBL525420 0.82 EGFR (0.43) CYP1A2ALOX15ALOX12PIK3CASRC
SCHEMBL525386 0.77 BRD4 (0.47) BRD4POLBL3MBTL1ALOX15ALDH1A1
SCHEMBL525075 0.76 TSHR (0.43) BRD4POLBKMT2ATDP1ALDH1A1
SCHEMBL525309 0.75 DYRK1A (0.40) BRD4POLBL3MBTL1ALOX15ALDH1A1
SCHEMBL525732 0.74 ALOX15 (0.42) BRD4TDP1ALOX15ALOX12ALDH1A1
SCHEMBL525511 0.74 CHRNB4 (0.36) BRD4ALDH1A1SMN1; SMN2LMNAMAOA
SCHEMBL525198 0.74 MAPT (0.36) POLBKMT2AL3MBTL1RECQLBLM
SCHEMBL525548 0.74 KDM4E (0.38) KMT2APTGS2KDM4EPTGS1MEN1

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 1780/4885AKR1C3 3476/4885AKR1C1 3529/4885

“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.