SCHEMBL525732

SCHEMBL525732

Cc1cccc(-c2coc3c2C(=O)CCC3)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
KCNA3 P22001 1/20 0.41
ABCB1 P08183 1/20 0.41
MAOB P27338 1/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
PGR P06401 1/20 0.38
PARP10 Q53GL7 1/20 0.37
PARP11 Q9NR21 1/20 0.37
NR3C2 P08235 1/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36

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
SCHEMBL525198 0.83 MAPT (0.36) MAOBMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL525511 0.83 CHRNB4 (0.36) MAOBSMN1; SMN2ALDH1A1CHRNB4CHRNA3
SCHEMBL525420 0.83 EGFR (0.43) ALOX15ALOX12KCNA3MAOBCA12
SCHEMBL525548 0.83 KDM4E (0.38) MAOBMAPTPARP10PARP11CHRNB4
SCHEMBL525555 0.83 BRD4 (0.52) KCNA3MAOBMAPTNPC1RAB9A
SCHEMBL524806 0.80 TGFBR1 (0.34) SMN1; SMN2ALDH1A1TP53TDP1
SCHEMBL525411 0.80 PIM1 (0.46) ALOX15ALOX12KCNA3MAOBCA12
SCHEMBL631629 0.79 TDP2 (0.44) MAOBMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL525730 0.76 SRC (0.43) MAPTNPSR1ALDH1A1HPGDPGR
SCHEMBL524971 0.75 ALDH1A1 (0.40) MAOBMAPTSMN1; SMN2ALDH1A1BRD4

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 ALOX15 3866/4885ALOX12 3662/4885KCNA3 4500/4885

“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.