SCHEMBL17653370

SCHEMBL17653370

O=c1[nH]c2ccc(NCc3cc(Br)ccc3OCc3ccccc3)cc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 11/20 0.69
▸ MAPT P10636 4/20 0.69
▸ KDM4E B2RXH2 2/20 0.69
▸ LMNA P02545 1/20 0.69
▸ MAPK1 P28482 1/20 0.69
▸ GFER P55789 1/20 0.69
▸ KMT2A Q03164 8/20 0.66
▸ L3MBTL1 Q9Y468 3/20 0.66
▸ MEN1 O00255 7/20 0.60
▸ CCR5 P51681 1/20 0.53

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
SCHEMBL17653356 0.88 GAA (0.83) GAAMAPTKDM4ELMNAKMT2A
SCHEMBL17653306 0.81 GAA (0.82) GAAMAPTKDM4ELMNAKMT2A
SCHEMBL17653389 0.80 GAA (1.00) GAAMAPTKDM4EKMT2AL3MBTL1
SCHEMBL6260635 0.78 MAPT (0.61) GAAMAPTKDM4ELMNAKMT2A
SCHEMBL9054195 0.77 USP28 (0.58) GAAMAPTKDM4ELMNAGFER
SCHEMBL8162710 0.77 USP28 (0.55) GAAMAPTKDM4ELMNAKMT2A
SCHEMBL8167667 0.75 CA1 (0.58) GAAMAPTKDM4ELMNAKMT2A
SCHEMBL29260532 0.75 GAA (0.64) GAAMAPTKDM4ELMNAMAPK1
SCHEMBL17653326 0.75 GAA (1.00) GAAMAPTKDM4ELMNAKMT2A
SCHEMBL17653355 0.74 GAA (0.68) GAAMAPTKDM4ELMNAKMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10112895-B2 Antivirals against molluscum contagiosum virus THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-10-30 — — US claimed
EP-3200778-A1 ANTIVIRALS AGAINST MOLLUSCUM CONTAGIOSUM VIRUS The Trustees Of The University Of Pennsylvania (US) 2017-08-09 — — EP claimed
US-20170217882-A1 ANTIVIRALS AGAINST MOLLUSCUM CONTAGIOSUM VIRUS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2017-08-03 — — US claimed
WO-2016053893-A1 ANTIVIRALS AGAINST MOLLUSCUM CONTAGIOSUM VIRUS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-04-07 — — WO claimed
US-10112895-B2 Antivirals against molluscum contagiosum virus THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-10-30 — — US disclosed
US-20170217882-A1 ANTIVIRALS AGAINST MOLLUSCUM CONTAGIOSUM VIRUS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2017-08-03 — — US disclosed
US-20170217882-A1 ANTIVIRALS AGAINST MOLLUSCUM CONTAGIOSUM VIRUS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2017-08-03 — — US disclosed
US-20170217882-A1 ANTIVIRALS AGAINST MOLLUSCUM CONTAGIOSUM VIRUS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2017-08-03 — — US disclosed
WO-2016053893-A1 ANTIVIRALS AGAINST MOLLUSCUM CONTAGIOSUM VIRUS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-04-07 — — 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 (2 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-10112895-B2 Antivirals against molluscum contagiosum virus EIF2AK2, IRF3, ZC3HAV1 GAA 67/4885MAPT 1601/4885KDM4E 259/4885
US-20170217882-A1 ANTIVIRALS AGAINST MOLLUSCUM CONTAGIOSUM VIRUS EIF2AK2, IRF3, ZC3HAV1 GAA 67/4885MAPT 1601/4885KDM4E 259/4885

“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.

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