SCHEMBL17653284

SCHEMBL17653284

CN(c1ccc2[nH]c(=O)[nH]c2c1)c1cc(Br)ccc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.48
▸ CCR5 P51681 4/20 0.45
▸ SLC6A4 P31645 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.42
▸ PTPN1 P18031 1/20 0.41
▸ GAA P10253 4/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ PTP4A3 O75365 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KEAP1 Q14145 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38

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
SCHEMBL17653262 0.88 KMT2A (0.49) KMT2AGAAMAPTMAPK1MEN1
SCHEMBL17653277 0.81 KMT2A (0.51) KMT2AGAALMNAMAPTMEN1
SCHEMBL17653363 0.80 GAA (0.56) KMT2ACCR5GAALMNAMAPT
SCHEMBL17653354 0.73 GAA (0.50) KMT2AGAAKDM4ELMNAMAPT
SCHEMBL17653325 0.73 GAA (0.58) KMT2AGAAKDM4ELMNAMAPT
SCHEMBL17653370 0.72 GAA (0.69) KMT2ACCR5GAAKDM4ELMNA
SCHEMBL17653244 0.68 CCR5 (0.53) KMT2ACCR5LRRK2PTPN1MEN1
SCHEMBL20772468 0.68 CTSV (0.61) KMT2AKDM4EALDH1A1MEN1L3MBTL1
Hydrogen Sulfide SCHEMBL24697572 0.68 CCR5 (0.52) CCR5SLC6A4LRRK2LMNAALDH1A1
SCHEMBL22160850 0.68 MAPK13 (0.44) KMT2AGAAKDM4EMAPTALDH1A1

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-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
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 KMT2A 2273/4885CCR5 1579/4885SLC6A4 1921/4885
US-20170217882-A1 ANTIVIRALS AGAINST MOLLUSCUM CONTAGIOSUM VIRUS EIF2AK2, IRF3, ZC3HAV1 KMT2A 2273/4885CCR5 1579/4885SLC6A4 1921/4885

“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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