SCHEMBL525561

SCHEMBL525561

ON=C1CCCc2occ(-c3cccc(Cl)c3)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.38
ABL1 P00519 1/20 0.38
ABL2 P42684 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
PIK3CA P42336 1/20 0.38
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.34
SLC6A3 Q01959 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDO2 P48775 1/20 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
SCHEMBL525560 1.00 EGFR (0.38) EGFRABL1ABL2ALOX15ALOX12
SCHEMBL525420 0.80 EGFR (0.43) EGFRABL1ABL2ALOX15ALOX12
SCHEMBL5123716 0.70 HTT (0.56) HTTSLC6A3HPGDMAPT
SCHEMBL5123713 0.70 HTT (0.56) HTTSLC6A3HPGDMAPT
SCHEMBL524971 0.66 ALDH1A1 (0.40) POLBALDH1A1MAPTSMN1; SMN2
SCHEMBL525508 0.65 PGR (0.47) EGFRABL1ABL2ALOX15ALOX12
SCHEMBL525765 0.64 EGFR (0.41) EGFRABL1ABL2ALOX15ALOX12
SCHEMBL525511 0.64 CHRNB4 (0.36) ALDH1A1CHRNB4CHRNA3SMN1; SMN2
SCHEMBL525548 0.64 KDM4E (0.38) KDM4ECHRNB4CHRNA3MAPTHTR7
SCHEMBL525198 0.64 MAPT (0.36) HTTPOLBALDH1A1KDM4EHPGD

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 EGFR 3807/4885ABL1 1432/4885ABL2 4253/4885

“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.