SCHEMBL5907147

SCHEMBL5907147

Cc1c(Cc2c(F)cccc2F)[nH]c(=S)[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ AR P10275 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ ALDH1A1 P00352 6/20 0.36
▸ PTGES O14684 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ DAO P14920 2/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ERAP1 Q9NZ08 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
SCHEMBL22800853 0.84 NPC1 (0.40) L3MBTL1ARLMNASIRT1ALDH1A1
SCHEMBL5907182 0.81 ALDH1A1 (0.36) L3MBTL1ARLMNASIRT1ALDH1A1
SCHEMBL20828261 0.76 L3MBTL1 (0.51) L3MBTL1LMNASIRT1ALDH1A1NPC1
SCHEMBL20828262 0.75 DAO (0.48) L3MBTL1LMNASIRT1ALDH1A1DAO
SCHEMBL5907186 0.73 CYP2C9 (0.40) L3MBTL1LMNASIRT1ALDH1A1NPC1
SCHEMBL5907178 0.70 SMN1; SMN2 (0.61) ARALDH1A1DAOMMP1MMP2
SCHEMBL11733305 0.69 L3MBTL1 (0.63) L3MBTL1ALDH1A1NPC1HTTRAB9A
SCHEMBL1739898 0.67 LMNA (0.40) L3MBTL1ARLMNAALDH1A1PARP1
SCHEMBL6025430 0.66 LMNA (0.62) L3MBTL1ARLMNAALDH1A1HTT
SCHEMBL21331857 0.66 NPC1 (0.40) L3MBTL1ARLMNASIRT1ALDH1A1

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-20060106044-A1 Methods for inhibiting the transmission of HIV using topically applied substituted 6-benzyl-4-oxopyrimidines IDENIX PHARMACEUTICALS INC. (US) 2006-05-18 — — US disclosed
US-20040092539-A1 Substituted 6-benzyl-4-oxopyrimidines, process for their preparation and pharmaceutical compositions containing them COLLA PAOLO LA (IT) 2004-05-13 — — US disclosed
US-20030225114-A1 Methods for inhibiting the transmission of HIV using topically applied substituted 6-benzyl-4- oxopyrimidines IDENIX PHARMACEUTICALS, INC. 2003-12-04 — — US disclosed
US-6635636-B1 Reverse transcriptase inhibitors; human immunodeficiency virus and acquired immune deficiency syndrome IDENIX PHARMACEUTICALS, INC. 2003-10-21 — — US disclosed
EP-1343502-A2 METHODS FOR INHIBITING THE TRANSMISSION OF HIV USING TOPICALLY APPLIED SUBSTITUTED 6-BENZYL-4-OXOPYRIMIDINES Idenix (Cayman) Limited (KY) 2003-09-17 — — EP disclosed
US-6545007-B2 Topically applying to the skin or epithelial tissue of a human an effective amount of a dihydro-alkyloxy-benzyl-oxopyrimidine compound for inhibiting sexual transmission of HIV IDENIX (CAYMAN) LIMITED (KY) 2003-04-08 — — US disclosed
US-20030008887-A1 Methods for inhibiting the transmission of HIV using topically applied substituted 6-benzyl-4-oxopyrimidines IDENIX PHARMACEUTICALS INC. 2003-01-09 — — US disclosed
WO-2002040021-A2 METHODS FOR INHIBITING THE TRANSMISSION OF HIV USING TOPICALLY APPLIED SUBSTITUTED 6-BENZYL-4-OXOPYRIMIDINES IDENIX (CAYMAN) LIMITED (KY) 2002-05-23 — — WO disclosed
EP-1098887-A1 SUBSTITUTED 6-BENZYL-4-OXOPYRIMIDINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Novirio Pharmaceuticals Limited (KY) 2001-05-16 — — EP disclosed
WO-2000003998-A1 SUBSTITUTED 6-BENZYL-4-OXOPYRIMIDINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NOVIRIO PHARMACEUTICALS LIMITED (KY) 2000-01-27 — — 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 (4 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-20060106044-A1 Methods for inhibiting the transmission of HIV using topically applied substituted 6-benzyl-4-oxopyrimidines DUT, UNG, NUDT1 L3MBTL1 1638/4885AR 1035/4885LMNA 4112/4885
US-20030008887-A1 Methods for inhibiting the transmission of HIV using topically applied substituted 6-benzyl-4-oxopyrimidines DUT, UNG, NUDT1 L3MBTL1 1451/4885AR 1410/4885LMNA 4230/4885
US-20040092539-A1 Substituted 6-benzyl-4-oxopyrimidines, process for their preparation and pharmaceutical compositions containing them TYMP, UMPS, TYMS L3MBTL1 1954/4885AR 4144/4885LMNA 4158/4885
US-20030225114-A1 Methods for inhibiting the transmission of HIV using topically applied substituted 6-benzyl-4- oxopyrimidines DUT, UNG, NUDT1 L3MBTL1 1451/4885AR 1410/4885LMNA 4230/4885

“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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