SCHEMBL17547014

SCHEMBL17547014

Brc1ccc(I)c(OCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.54
MAOB P27338 2/20 0.53
CCR5 P51681 5/20 0.50
ALDH1A1 P00352 3/20 0.49
USP28 Q96RU2 1/20 0.49
USP25 Q9UHP3 1/20 0.49
RAB9A P51151 1/20 0.49
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
FFAR1 O14842 1/20 0.46
PTGER1 P34995 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL5109981 0.86 FFAR1 (0.56) SLC6A4MAOBCCR5ALDH1A1USP28
SCHEMBL20755877 0.85 FFAR1 (0.57) MAOBFFAR1
SCHEMBL368071 0.84 SLC6A4 (0.66) SLC6A4MAOBCCR5ALDH1A1USP28
SCHEMBL31644088 0.84 SLC6A4 (0.66) SLC6A4MAOBCCR5ALDH1A1USP28
SCHEMBL4434864 0.82 SLC6A4 (0.56) SLC6A4MAOBCCR5ALDH1A1USP28
SCHEMBL23263356 0.81 PTPN1 (0.49) SLC6A4MAOBCCR5ALDH1A1USP28
SCHEMBL16293828 0.80 CCR5 (0.51) SLC6A4MAOBCCR5ALDH1A1USP28
SCHEMBL19814058 0.79 MAPT (0.53) MAOBHTTSMN1; SMN2FFAR1PTGER1
SCHEMBL15197125 0.79 CCR5 (0.54) SLC6A4MAOBCCR5ALDH1A1USP28
SCHEMBL544346 0.79 SLC6A4 (0.54) SLC6A4MAOBCCR5ALDH1A1USP28

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373932-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-23 US disclosed
US-20210130300-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2021-05-06 US disclosed
EP-3744713-A1 DIYHYDROPYRIMIDINE-2-ONE COMPOUNDS AND MEDICINAL USES THEREOF Japan Tobacco Inc. (JP) 2020-12-02 EP disclosed
CN-107001286-B Dihydropyrimidine-2-one compounds and medicinal use thereof 日本烟草产业株式会社 2020-07-07 CN disclosed
EP-3231793-B1 DIHYDROPYRIMIDINE-2-ONE COMPOUNDS AND MEDICINAL USES THEREOF JAPAN TOBACCO INC (JP) 2020-03-11 EP disclosed
US-10196363-B2 Dihydropyrimidin-2-one compounds and medical use thereof JAPAN TOBACCO INC. (JP) 2019-02-05 US disclosed
EP-2990424-B1 POLYMERIZABLE COMPOUND AND POLYMERIZABLE COMPOSITION JNC CORP (JP) 2019-01-30 EP disclosed
EP-3327045-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2018-05-30 EP disclosed
EP-3231793-A1 DIHYDROPYRIMIDINE-2-ONE COMPOUNDS AND MEDICINAL USES THEREOF JAPAN TOBACCO INC. (JP) 2017-10-18 EP disclosed
US-20160194290-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF SHIONOGI & CO., LTD. (JP) 2016-07-07 US disclosed
US-20160075950-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2016-03-17 US disclosed
EP-2990424-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2016-03-02 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 (5 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-20160075950-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE PYM1, DRD1, PLD1 SLC6A4 2949/4885MAOB 3867/4885CCR5 1241/4885
US-10196363-B2 Dihydropyrimidin-2-one compounds and medical use thereof REN, PKD2, ALPI SLC6A4 420/4885MAOB 2640/4885CCR5 2845/4885
US-20160194290-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF REN, PKD2, ALPI SLC6A4 420/4885MAOB 2640/4885CCR5 2845/4885
US-20210130300-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF REN, PKD2, ALPI SLC6A4 420/4885MAOB 2640/4885CCR5 2845/4885
US-20230373932-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF REN, PKD2, ALPI SLC6A4 420/4885MAOB 2640/4885CCR5 2845/4885

“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.