SCHEMBL1628815

SCHEMBL1628815

O=c1cc(Cc2ccccc2)[nH]cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.53
TAAR1 Q96RJ0 3/20 0.53
DAO P14920 1/20 0.46
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HCAR2 Q8TDS4 1/20 0.42
AOC3 Q16853 1/20 0.42
IP6K1 Q92551 2/20 0.42
IP6K3 Q96PC2 1/20 0.42
IP6K2 Q9UHH9 1/20 0.42
CAPN1 P07384 1/20 0.42
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
KDM4A O75164 1/20 0.39
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL7782563 0.79 DAO (0.56) TAAR1DAO
SCHEMBL28127868 0.72 DAO (0.50) HRH3TAAR1DAOABL1RIN1
SCHEMBL1628817 0.71 ABL1 (0.55) HRH3TAAR1DAOABL1RIN1
SCHEMBL1034848 0.69 HRH3 (1.00) HRH3TAAR1SMN1; SMN2CYP2D6
SCHEMBL5907151 0.69 AOC3 (0.56) DAOSMN1; SMN2HCAR2AOC3ADORA1
SCHEMBL1584769 0.67 DAO (0.53) DAOSMN1; SMN2HCAR2HPGDADORA1
SCHEMBL9878574 0.66 POLB (0.61) DAOSMN1; SMN2HCAR2CAPN1HPGD
SCHEMBL29903956 0.66 AOC3 (0.47) HRH3TAAR1DAOSMN1; SMN2HCAR2
SCHEMBL10936216 0.64 HCAR2 (0.50) HRH3TAAR1DAOHCAR2TSHR
SCHEMBL13757285 0.64 DAO (0.49) HRH3TAAR1DAOSMN1; SMN2HCAR2

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996041634-A2 USE OF A NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR IN ASSOCIATION WITH NUCLEOSIDE INHIBITORS FOR THE TREATMENT OF HIV INFECTION SARDINIAN ANTIVIRAL RESEARCH CONSORTIUM - SARC S.C.R.L. (IT) 1996-12-27 WO claimed
EP-3125894-B1 PRODRUGS OF HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME (US) 2020-09-09 EP disclosed
EP-1572095-B1 BETA-L-2'-DEOXYNUCLEOSIDES FOR USE IN THE TREATMENT OF RESISTANT HBV STRAINS NOVARTIS AG (CH) 2015-06-10 EP disclosed
US-8158606-B2 β-L-2′-deoxynucleosides for the treatment of resistant HBV strains and combination therapies NOVARTIS, AG (CH) 2012-04-17 US disclosed
US-20110172178-A1 BETA-L-2' DEOXYNUCLEOSIDES FOR THE TREATMENT OF RESISTANT HBV STRAINS AND COMBINATION THERAPIES NOVARTIS AG (CH) 2011-07-14 US disclosed
US-7928086-B2 Administering a beta -L-2'-deoxynucleoside or its pharmaceutically acceptable salt, ester or prodrug therapy of a host infected with a drug-resistant form of HBV that exhibits a mutation at the 552 codon from methionine to valine in the DNA polymerase region NOVARTIS AG (CH) 2011-04-19 US disclosed
US-7585851-B2 3′-prodrugs of 2′-deoxy-β-L-nucleosides IDENIX PHARMACEUTICALS, INC. (US) 2009-09-08 US disclosed
EP-1572095-A4 S-L-2 -DEOXYNUCLEOSIDES FOR THE TREATMENT OF RESISTANT HBV STRAINS AND COMBINATION THERAPIES NOVARTIS AG (CH) 2008-11-05 EP disclosed
EP-1296995-B1 3'-PRODRUGS OF 2'-DEOXY-BETA-L-NUCLEOSIDES IDENIX CAYMAN LTD (KY) 2008-10-15 EP disclosed
US-20080182814-A1 Beta-L-2'-deoxynucleosides for the treatment of resistant HBV strains and combination therapies IDENIX PHARMACEUTICALS INC. 2008-07-31 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
WO-2001096353-A2 3'-PRODRUGS OF 2'-DEOXY-β-L-NUCLEOSIDES IDENIX (CAYMAN) LIMITED (KY) 2001-12-20 WO disclosed
CN-1309647-A Substd. 6-benzyl-4-oxopyrimidines, process for their preparation and pharmaceutical compositions contg. them NOVIRIO PHARMACEUTICALS LTD (KY) 2001-08-22 CN disclosed
CN-1309647-A Substd. 6-benzyl-4-oxopyrimidines, process for their preparation and pharmaceutical compositions contg. them NOVIRIO PHARMACEUTICALS LTD (KY) 2001-08-22 CN 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
WO-1996041634-A3 USE OF A NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR IN ASSOCIATION WITH NUCLEOSIDE INHIBITORS FOR THE TREATMENT OF HIV INFECTION SARDINIAN ANTIVIRAL RESEARCH C (IT) 1997-01-23 WO disclosed
WO-1996041634-A2 USE OF A NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR IN ASSOCIATION WITH NUCLEOSIDE INHIBITORS FOR THE TREATMENT OF HIV INFECTION SARDINIAN ANTIVIRAL RESEARCH CONSORTIUM - SARC S.C.R.L. (IT) 1996-12-27 WO disclosed
WO-1996041634-A2 USE OF A NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR IN ASSOCIATION WITH NUCLEOSIDE INHIBITORS FOR THE TREATMENT OF HIV INFECTION SARDINIAN ANTIVIRAL RESEARCH CONSORTIUM - SARC S.C.R.L. (IT) 1996-12-27 WO disclosed
WO-1996010565-A1 SUBSTITUTED 6-BENZYL-4-OXOPYRIMIDINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ISTITUTO SUPERIORE DI SANITA' (IT) 1996-04-11 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 (2 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-20110172178-A1 BETA-L-2' DEOXYNUCLEOSIDES FOR THE TREATMENT OF RESISTANT HBV STRAINS AND COMBINATION THERAPIES SLC28A2, SLC29A2, PNP HRH3 4335/4885TAAR1 4360/4885DAO 545/4885
US-20080182814-A1 Beta-L-2'-deoxynucleosides for the treatment of resistant HBV strains and combination therapies SLC28A2, SLC28A1, SLC29A2 HRH3 4343/4885TAAR1 4263/4885DAO 464/4885

“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.