SCHEMBL4693347

SCHEMBL4693347

CN(c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C2)S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 3/20 0.38
EP300 Q09472 1/20 0.38
CREBBP Q92793 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
METAP2 P50579 3/20 0.37
RAB9A P51151 5/20 0.37
MAPT P10636 5/20 0.37
NPSR1 Q6W5P4 4/20 0.37
KDM4E B2RXH2 4/20 0.37
LMNA P02545 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
TDP1 Q9NUW8 4/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPK1 P28482 2/20 0.37
USP2 O75604 1/20 0.37
NOD2 Q9HC29 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
FSCN1 Q16658 1/20 0.36

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
SCHEMBL4693783 0.93 COMT (0.40) COMTMETAP2RAB9AMAPTNPSR1
SCHEMBL5650719 0.91 MAPT (0.38) COMTEP300CREBBPKAT2AKAT2B
SCHEMBL4689848 0.91 COMT (0.38) COMTMETAP2RAB9AMAPTNPSR1
SCHEMBL12378216 0.90 COMT (0.35) COMTMETAP2RAB9AMAPTNPSR1
SCHEMBL4750446 0.90 TP53 (0.39) COMTMETAP2RAB9AMAPTNPSR1
SCHEMBL12378079 0.89 DHPS (0.39) COMTRAB9AMAPTNPSR1KDM4E
SCHEMBL29390607 0.89 KDM4E (0.39) COMTKAT2BRAB9AMAPTNPSR1
SCHEMBL4652222 0.89 KDM4E (0.39) COMTKAT2BRAB9AMAPTNPSR1
SCHEMBL4752157 0.89 CTSB (0.40) COMTMETAP2RAB9AMAPTNPSR1
SCHEMBL4692403 0.88 COMT (0.39) COMTRAB9AMAPTNPSR1KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888581-A2 HIV-INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2008-02-20 EP disclosed
US-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 US disclosed
US-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 US disclosed
US-20070072831-A1 Integrase inhibitor compounds GILEAD SCIENCES, INC. 2007-03-29 US disclosed
WO-2006125048-A2 HIV-INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-11-23 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 (1 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-20070072831-A1 Integrase inhibitor compounds TYMP, CDKN1A, PAICS COMT 645/4885EP300 385/4885CREBBP 1401/4885

“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.