SCHEMBL5907180

SCHEMBL5907180

O=C1C=C(Cc2c(F)cccc2F)NC(S)N1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.36
▸ DAO P14920 3/20 0.35
▸ CA12 O43570 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MMP1 P03956 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ MMP9 P14780 1/20 0.30
▸ MMP12 P39900 1/20 0.30

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
SCHEMBL5907185 0.67 AR (0.33) ARDAO
SCHEMBL5205493 0.64 TAAR1 (0.46) ARDAOTP53
SCHEMBL113326 0.56 TAAR1 (0.48) MMP1MMP2MMP9MMP12
SCHEMBL3163556 0.56 TAAR1 (0.43) DAO
SCHEMBL1047600 0.56 TAAR1 (0.43) ARDAOCA12MMP1MMP2
SCHEMBL7701701 0.55 TAAR1 (0.52) DAO
SCHEMBL20117761 0.54 DAO (0.38) ARDAOMMP1MMP2MMP9
SCHEMBL13615074 0.53 TAAR1 (0.44) DAOMMP1MMP2MMP9MMP12
SCHEMBL6206211 0.53 TAAR1 (0.45) ARDAOCA12MMP1MMP2
SCHEMBL2141552 0.53 TAAR1 (0.40) ARDAOCA12MMP1MMP2

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 AR 1035/4885DAO 22/4885CA12 4868/4885
US-20030008887-A1 Methods for inhibiting the transmission of HIV using topically applied substituted 6-benzyl-4-oxopyrimidines DUT, UNG, NUDT1 AR 1410/4885DAO 14/4885CA12 4858/4885
US-20040092539-A1 Substituted 6-benzyl-4-oxopyrimidines, process for their preparation and pharmaceutical compositions containing them TYMP, UMPS, TYMS AR 4144/4885DAO 422/4885CA12 4865/4885
US-20030225114-A1 Methods for inhibiting the transmission of HIV using topically applied substituted 6-benzyl-4- oxopyrimidines DUT, UNG, NUDT1 AR 1410/4885DAO 14/4885CA12 4858/4885

“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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