SCHEMBL4066478

SCHEMBL4066478

CC(=O)NCc1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
TTR P02766 1/20 0.41
KDM4E B2RXH2 1/20 0.41
S1PR4 O95977 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
HSD17B2 P37059 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 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
SCHEMBL13993813 0.85 TSHR (0.46) L3MBTL1TSHRALDH1A1MAPTPOLB
SCHEMBL15701163 0.81 KDM4E (0.56) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL11210850 0.81 KMT2A (0.57) ALDH1A1MAPTPOLBRAB9AKMT2A
SCHEMBL18255097 0.80 CA2 (0.57) TSHRALDH1A1MAPTPOLBRAB9A
SCHEMBL4068730 0.80 TACR1 (0.50) ALDH1A1MAPTPOLBRAB9AKMT2A
SCHEMBL5724113 0.79 TSHR (0.72) TSHRALDH1A1MAPTPOLBRAB9A
SCHEMBL5436067 0.78 KMT2A (0.47) L3MBTL1ALDH1A1MAPTPOLBRAB9A
SCHEMBL2455463 0.78 POLB (0.44) L3MBTL1ALDH1A1MAPTPOLBRAB9A
SCHEMBL18255172 0.78 KMT2A (0.50) ALDH1A1MAPTPOLBRAB9AKMT2A
SCHEMBL23417936 0.77 KMT2A (0.46) ALDH1A1MAPTPOLBRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664046-B1 AZA-QUINOLINOL PHOSPHONATE INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2009-06-17 EP disclosed
EP-1664046-B1 AZA-QUINOLINOL PHOSPHONATE INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2009-06-17 EP disclosed
US-7462721-B2 Aza-quinolinol phosphonate integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2008-12-09 US disclosed
US-7462721-B2 Aza-quinolinol phosphonate integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2008-12-09 US disclosed
US-7462721-B2 Aza-quinolinol phosphonate integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2008-12-09 US disclosed
US-20080153783-A1 Pyrimidyl Phosphonate Antiviral Compounds and Methods of Use GILEAD SCIENCES, INC. (US) 2008-06-26 US disclosed
US-20080153783-A1 Pyrimidyl Phosphonate Antiviral Compounds and Methods of Use GILEAD SCIENCES, INC. (US) 2008-06-26 US disclosed
US-20080153783-A1 Pyrimidyl Phosphonate Antiviral Compounds and Methods of Use GILEAD SCIENCES, INC. (US) 2008-06-26 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 US disclosed
US-20070185007-A1 Aza-quinolinol phosphonate integrase inhibitor compounds JIN HAOLUN 2007-08-09 US disclosed
EP-1742642-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2007-01-17 EP disclosed
EP-1711476-A2 PYRIMIDYL PHOSPHONATE ANTIVIRAL COMPOUNDS AND METHODS OF USE GILEAD SCIENCES, INC. (US) 2006-10-18 EP disclosed
EP-1664046-A1 AZA-QUINOLINOL PHOSPHONATE INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-06-07 EP disclosed
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-06-01 US disclosed
US-20050282839-A1 Pyrimidyl phosphonate antiviral compounds and methods of use GILEAD SCIENCES, INC. 2005-12-22 US disclosed
WO-2005117904-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-12-15 WO disclosed
WO-2005070901-A2 PYRIMIDYL PHOSPHONATE ANTIVIRAL COMPOUNDS AND METHODS OF USE GILEAD SCIENCES, INC. (US) 2005-08-04 WO disclosed
US-20050137199-A1 Inhibition of HiV integrase compounds GILEAD SCIENCES, INC. 2005-06-23 US disclosed
WO-2005028478-A1 AZA-QUINOLINOL PHOSPHONATE INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-03-31 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 (6 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-20080153783-A1 Pyrimidyl Phosphonate Antiviral Compounds and Methods of Use TYMP, MTAP, PNP L3MBTL1 1823/4885TSHR 4483/4885ALDH1A1 2933/4885
US-20050137199-A1 Inhibition of HiV integrase compounds CDKL5, CDKL1, CDKL3 L3MBTL1 37/4885TSHR 4115/4885ALDH1A1 3574/4885
US-20050282839-A1 Pyrimidyl phosphonate antiviral compounds and methods of use TYMP, MTAP, PNP L3MBTL1 1823/4885TSHR 4483/4885ALDH1A1 2933/4885
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds TYMP, PNP, PIKFYVE L3MBTL1 495/4885TSHR 4778/4885ALDH1A1 2788/4885
US-20070185007-A1 Aza-quinolinol phosphonate integrase inhibitor compounds CDKL5, CDKL1, CDKL3 L3MBTL1 333/4885TSHR 3990/4885ALDH1A1 2811/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE L3MBTL1 495/4885TSHR 4778/4885ALDH1A1 2788/4885

“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.