SCHEMBL600199

SCHEMBL600199

CCc1cc(CCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.55
LMNA P02545 3/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 2/20 0.55
RXFP1 Q9HBX9 1/20 0.55
MAPT P10636 7/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
GAA P10253 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HTT P42858 1/20 0.45
PKM P14618 1/20 0.43
CASP3 P42574 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.41
GLS O94925 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL9432418 0.76 MAPK1 (0.54) LMNAHPGDMAPTMEN1KMT2A
SCHEMBL5635894 0.75 MAPT (0.53) NPSR1LMNAALDH1A1HPGDRXFP1
SCHEMBL5635893 0.73 MAPT (0.51) NPSR1LMNAALDH1A1HPGDRXFP1
SCHEMBL2990983 0.72 MAPT (0.61) NPSR1LMNAALDH1A1HPGDRXFP1
SCHEMBL9431872 0.71 LMNA (0.48) NPSR1LMNAALDH1A1HPGDRXFP1
SCHEMBL14074159 0.70 MAPT (0.57) NPSR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL9431734 0.70 NR1H3 (0.33) NPSR1LMNAALDH1A1HPGDRXFP1
SCHEMBL9431737 0.70 NR1H3 (0.33) NPSR1LMNAALDH1A1HPGDRXFP1
SCHEMBL9848765 0.70 MAPK1 (0.51) NPSR1LMNAALDH1A1HPGDRXFP1
SCHEMBL10581951 0.70 HPGD (0.55) NPSR1LMNAHPGDMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0666744-A1 USE OF BHAP COMPOUNDS IN COMBINATION WITH OTHER NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR THE TREATMENT OF HIV INFECTION THE UPJOHN COMPANY (US) 1995-08-16 EP claimed
WO-1994009781-A1 USE OF BHAP COMPOUNDS IN COMBINATION WITH OTHER NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR THE TREATMENT OF HIV INFECTION THE UPJOHN COMPANY (US) 1994-05-11 WO claimed
EP-0462808-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP claimed
US-9861652-B2 2′ Fluoronucleosides EMORY UNIVERSITY (US) 2018-01-09 US disclosed
US-9732110-B2 Nucleoside and nucleotide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-9675632-B2 Nucleoside and nucleotide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-20160159843-A1 NUCLEOSIDE AND NUCLEOTIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2016-06-09 US disclosed
US-20160158266-A1 2' FLUORONUCLEOSIDES EMORY UNIVERSITY 2016-06-09 US disclosed
US-20160058783-A1 NUCLEOSIDE AND NUCLEOTIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2016-03-03 US disclosed
WO-2016033164-A1 NUCLEOSIDE AND NUCLEOTIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2016-03-03 WO disclosed
US-9180138-B2 2′-fluoronucleosides UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2015-11-10 US disclosed
WO-1999066936-A1 USE OF 3'-AZIDO-2',3'-DIDEOXYURIDINE IN COMBINATION WITH FURTHER ANTI-HIV DRUGS FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF HIV EMORY UNIVERSITY (US) 1999-12-29 WO disclosed
WO-1998041522-A9 SYNTHESIS, ANTI-HUMAN IMMUNODEFICIENCY VIRUS AND ANTI-HEPATITIS B VIRUS ACTIVITIES OF 1,3-OXASELENOLANE NUCLEOSIDES 1999-03-04 WO disclosed
WO-1998044913-A2 COMPOSITIONS CONTAINING MKC-442 IN COMBINATION WITH OTHER ANTIVIRAL AGENTS TRIANGLE PHARMACEUTICALS, INC. (US) 1998-10-15 WO disclosed
WO-1998041522-A1 SYNTHESIS, ANTI-HUMAN IMMUNODEFICIENCY VIRUS AND ANTI-HEPATITIS B VIRUS ACTIVITIES OF 1,3-OXASELENOLANE NUCLEOSIDES EMORY UNIVERSITY (US) 1998-09-24 WO disclosed
EP-0666744-A1 USE OF BHAP COMPOUNDS IN COMBINATION WITH OTHER NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR THE TREATMENT OF HIV INFECTION THE UPJOHN COMPANY (US) 1995-08-16 EP disclosed
WO-1994009781-A1 USE OF BHAP COMPOUNDS IN COMBINATION WITH OTHER NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR THE TREATMENT OF HIV INFECTION THE UPJOHN COMPANY (US) 1994-05-11 WO disclosed
US-5308854-A 2-benzoxazolylalkyl substituted pyridin-2(1H)(thi)ones; AIDS MERCK & CO., INC. (US) 1994-05-03 US disclosed
EP-0462808-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP disclosed
EP-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP 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 (3 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-20160159843-A1 NUCLEOSIDE AND NUCLEOTIDE DERIVATIVES PCNA, ENTPD5, NME2 NPSR1 2044/4885LMNA 1931/4885ALDH1A1 1228/4885
US-20160158266-A1 2' FLUORONUCLEOSIDES PNP, BCL3, NPC1 NPSR1 2599/4885LMNA 2797/4885ALDH1A1 3494/4885
US-20160058783-A1 NUCLEOSIDE AND NUCLEOTIDE DERIVATIVES PCNA, ENTPD5, NME2 NPSR1 2044/4885LMNA 1931/4885ALDH1A1 1228/4885

“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.