SCHEMBL17653233

SCHEMBL17653233

Oc1ccc(NCc2ccccc2OCc2ccccc2)c(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.64
GAA P10253 4/20 0.64
TP53 P04637 3/20 0.64
MAPT P10636 3/20 0.64
THRB P10828 3/20 0.64
LMNA P02545 3/20 0.64
ALDH1A1 P00352 3/20 0.64
KDM4E B2RXH2 2/20 0.64
MEN1 O00255 2/20 0.64
BLM P54132 2/20 0.64
KMT2A Q03164 2/20 0.64
HPGD P15428 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
PKM P14618 2/20 0.54
ESR1 P03372 1/20 0.54
ALOX12 P18054 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ESR2 Q92731 1/20 0.54
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL4347345 0.87 GAA (0.67) L3MBTL1GAATP53MAPTTHRB
SCHEMBL4354534 0.84 GAA (0.59) L3MBTL1GAATP53MAPTTHRB
SCHEMBL4355825 0.82 MAPT (0.60) L3MBTL1GAATP53MAPTTHRB
SCHEMBL4357648 0.81 MAPT (0.69) L3MBTL1GAATP53MAPTTHRB
SCHEMBL4348998 0.79 MAPT (0.70) L3MBTL1GAATP53MAPTTHRB
SCHEMBL17653296 0.78 GAA (1.00) L3MBTL1GAATP53MAPTTHRB
SCHEMBL1128800 0.76 S1PR5 (0.52) LMNA
SCHEMBL4359794 0.75 GAA (0.57) L3MBTL1GAATP53MAPTTHRB
SCHEMBL4345493 0.74 GAA (0.60) L3MBTL1GAATP53MAPTTHRB
SCHEMBL4347137 0.73 GAA (0.69) L3MBTL1GAATP53MAPTTHRB

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 11 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
EP-3200778-A1 ANTIVIRALS AGAINST MOLLUSCUM CONTAGIOSUM VIRUS The Trustees Of The University Of Pennsylvania (US) 2017-08-09 EP 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
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 L3MBTL1 2533/4885GAA 67/4885TP53 3463/4885
US-20170217882-A1 ANTIVIRALS AGAINST MOLLUSCUM CONTAGIOSUM VIRUS EIF2AK2, IRF3, ZC3HAV1 L3MBTL1 2533/4885GAA 67/4885TP53 3463/4885

“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.