SCHEMBL5907186

SCHEMBL5907186

Cc1c(C(C)c2c(F)cccc2F)[nH]c(=S)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PARP1 P09874 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PDE7A Q13946 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.32
▸ PRNP P04156 2/20 0.32
▸ PPARG P37231 2/20 0.32
▸ NCOR2 Q9Y618 2/20 0.32
▸ MAPT P10636 3/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL5907147 0.73 L3MBTL1 (0.47) L3MBTL1PARP1ALDH1A1NPSR1SIRT1
SCHEMBL855321 0.73 L3MBTL1 (0.44) L3MBTL1ALDH1A1NPSR1PPARGNCOR2
SCHEMBL6806240 0.71 SMN1; SMN2 (0.41) CYP2C9CYP2C19ALDH1A1PDE7AMAPT
SCHEMBL5907182 0.70 ALDH1A1 (0.36) L3MBTL1ALDH1A1NPSR1SIRT1PRNP
SCHEMBL5907176 0.68 CYP2C9 (0.58) CYP2C9CYP2C19L3MBTL1PARP1PPARG
SCHEMBL30601636 0.68 CYP2C9 (0.46) CYP2C9CYP2C19PARP1
SCHEMBL30601619 0.67 CYP2C9 (0.73) CYP2C9CYP2C19L3MBTL1PARP1ALDH1A1
SCHEMBL22800853 0.63 NPC1 (0.40) L3MBTL1ALDH1A1SIRT1NPC1RAB9A
SCHEMBL20828261 0.60 L3MBTL1 (0.51) CYP2C9L3MBTL1ALDH1A1NPSR1SIRT1
SCHEMBL7213442 0.60 HSD17B10 (0.50) CYP2C9CYP2C19L3MBTL1ALDH1A1SIRT1

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 CYP2C9 622/4885CYP2C19 311/4885L3MBTL1 1638/4885
US-20030008887-A1 Methods for inhibiting the transmission of HIV using topically applied substituted 6-benzyl-4-oxopyrimidines DUT, UNG, NUDT1 CYP2C9 960/4885CYP2C19 404/4885L3MBTL1 1451/4885
US-20040092539-A1 Substituted 6-benzyl-4-oxopyrimidines, process for their preparation and pharmaceutical compositions containing them TYMP, UMPS, TYMS CYP2C9 196/4885CYP2C19 158/4885L3MBTL1 1954/4885
US-20030225114-A1 Methods for inhibiting the transmission of HIV using topically applied substituted 6-benzyl-4- oxopyrimidines DUT, UNG, NUDT1 CYP2C9 960/4885CYP2C19 404/4885L3MBTL1 1451/4885

“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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