SCHEMBL5907178

SCHEMBL5907178

O=c1cc(Cc2c(F)cccc2F)[nH]c(=S)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ CYB5R3 P00387 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ TAS2R38 P59533 2/20 0.49
▸ LPO P22079 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ MPO P05164 1/20 0.49
▸ TPO P07202 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MAPT P10636 2/20 0.47
▸ KMT2A Q03164 2/20 0.45
▸ DAO P14920 3/20 0.42
▸ PTGS1 P23219 1/20 0.39
▸ BAZ2B Q9UIF8 1/20 0.39
▸ AR P10275 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MMP1 P03956 2/20 0.37

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
Benzylthiouracil SCHEMBL815137 0.76 SMN1; SMN2 (1.00) SMN1; SMN2CYB5R3ALDH1A1CYP3A4TAS2R38
SCHEMBL30069796 0.72 SMN1; SMN2 (0.59) SMN1; SMN2CYB5R3ALDH1A1CYP3A4TAS2R38
SCHEMBL26440143 0.72 SMN1; SMN2 (0.59) SMN1; SMN2CYB5R3ALDH1A1CYP3A4TAS2R38
SCHEMBL14123256 0.70 SMN1; SMN2 (0.60) SMN1; SMN2CYB5R3ALDH1A1CYP3A4TAS2R38
SCHEMBL5907147 0.70 L3MBTL1 (0.47) ALDH1A1DAOARMMP1MMP2
SCHEMBL22800853 0.69 NPC1 (0.40) ALDH1A1DAOAR
SCHEMBL14123294 0.69 SMN1; SMN2 (0.68) SMN1; SMN2CYB5R3ALDH1A1CYP3A4TAS2R38
SCHEMBL23160962 0.69 LPO (0.71) SMN1; SMN2CYB5R3ALDH1A1CYP3A4TAS2R38
SCHEMBL7490345 0.68 PCSK9 (0.59) —
SCHEMBL6806240 0.68 SMN1; SMN2 (0.41) SMN1; SMN2CYB5R3ALDH1A1CYP3A4TAS2R38

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 SMN1; SMN2 1823/4885CYB5R3 2926/4885ALDH1A1 1149/4885
US-20030008887-A1 Methods for inhibiting the transmission of HIV using topically applied substituted 6-benzyl-4-oxopyrimidines DUT, UNG, NUDT1 SMN1; SMN2 1889/4885CYB5R3 2824/4885ALDH1A1 1104/4885
US-20040092539-A1 Substituted 6-benzyl-4-oxopyrimidines, process for their preparation and pharmaceutical compositions containing them TYMP, UMPS, TYMS SMN1; SMN2 2192/4885CYB5R3 2453/4885ALDH1A1 1185/4885
US-20030225114-A1 Methods for inhibiting the transmission of HIV using topically applied substituted 6-benzyl-4- oxopyrimidines DUT, UNG, NUDT1 SMN1; SMN2 1889/4885CYB5R3 2824/4885ALDH1A1 1104/4885

“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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