SCHEMBL4750446

SCHEMBL4750446

CN(c1c2c(c(O)c3ncccc13)C(=O)N(Cc1cccc(Cl)c1)C2)S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
SLC2A1 P11166 2/20 0.39
MAPT P10636 5/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
COMT P21964 1/20 0.36
MAPK1 P28482 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
METAP2 P50579 2/20 0.35
USP2 O75604 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4689848 0.94 COMT (0.38) TP53SLC2A1MAPTLMNASMN1; SMN2
SCHEMBL5650719 0.91 MAPT (0.38) TP53SLC2A1MAPTLMNASMN1; SMN2
SCHEMBL12378079 0.91 DHPS (0.39) TP53MAPTLMNASMN1; SMN2KDM4E
SCHEMBL4693347 0.90 COMT (0.38) TP53MAPTLMNASMN1; SMN2KDM4E
SCHEMBL4693783 0.89 COMT (0.40) SLC2A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL12378216 0.89 COMT (0.35) TP53SLC2A1MAPTLMNASMN1; SMN2
SCHEMBL4752157 0.89 CTSB (0.40) TP53MAPTLMNASMN1; SMN2KDM4E
SCHEMBL4692403 0.88 COMT (0.39) TP53SLC2A1MAPTLMNASMN1; SMN2
SCHEMBL12378196 0.87 MAPT (0.37) TP53SLC2A1MAPTLMNASMN1; SMN2
SCHEMBL4652222 0.87 KDM4E (0.39) TP53MAPTLMNASMN1; SMN2KDM4E

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 TP53 504/4885SLC2A1 4646/4885MAPT 3536/4885

“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.