SCHEMBL524971

SCHEMBL524971

O=C1CCCc2occ(-c3cc(Cl)cc(Cl)c3)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RECQL P46063 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BRD4 O60885 1/20 0.33
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
SRC P12931 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
PRKCI P41743 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
SCHEMBL525420 0.87 EGFR (0.43) ALDH1A1CYP1A2SRCMAOAMAOB
SCHEMBL525638 0.86 BRD4 (0.43) ALDH1A1SMN1; SMN2RECQLKMT2ACYP1A2
SCHEMBL525730 0.82 SRC (0.43) ALDH1A1POLBL3MBTL1BRD4MAPT
SCHEMBL525296 0.77 BRD4 (0.50) ALDH1A1SMN1; SMN2KMT2ATDP1BRD4
SCHEMBL525386 0.75 BRD4 (0.47) ALDH1A1SMN1; SMN2POLBL3MBTL1BRD4
SCHEMBL525548 0.75 KDM4E (0.38) KMT2AMEN1MAPTMAOAMAOB
SCHEMBL525511 0.75 CHRNB4 (0.36) ALDH1A1SMN1; SMN2BRD4PIM1PIM3
SCHEMBL525732 0.75 ALOX15 (0.42) ALDH1A1SMN1; SMN2TDP1BRD4MAPT
SCHEMBL525198 0.75 MAPT (0.36) ALDH1A1SMN1; SMN2RECQLKMT2APOLB
SCHEMBL525075 0.74 TSHR (0.43) ALDH1A1SMN1; SMN2KMT2APOLBTDP1

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
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-2420495-A1 Novel derivatives useful as antiviral agents Institut Pasteur (FR) 2012-02-22 EP 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 ALDH1A1 1663/4885SMN1; SMN2 1334/4885RECQL 186/4885

“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.