SCHEMBL4887610

SCHEMBL4887610

Cn1c(CNC(=O)OCc2ccccc2)nc2c(N3CCN(C(=O)OC(C)(C)C)CC3)cccc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.51
ACHE P22303 2/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
P2RX7 Q99572 7/20 0.41
MAPT P10636 1/20 0.41
TLR9 Q9NR96 2/20 0.41
TLR7 Q9NYK1 1/20 0.41
SLC2A1 P11166 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 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
SCHEMBL5242598 0.89 TMEM97 (0.41) BACE1MEN1KMT2AMAPTTMEM97
SCHEMBL4887206 0.87 BACE1 (0.51) BACE1ACHEMEN1KMT2AP2RX7
SCHEMBL4889402 0.81 BACE1 (0.49) BACE1ACHEMEN1KMT2AP2RX7
SCHEMBL4878710 0.81 ACHE (0.42) BACE1ACHEMAPTCKS1BSKP1
SCHEMBL4938133 0.75 OPRM1 (0.49) MEN1KMT2AMAPT
SCHEMBL29889007 0.74 SIGMAR1 (0.56) BACE1MEN1KMT2AP2RX7MAPT
SCHEMBL3049200 0.73 SIGMAR1 (0.60) BACE1MEN1KMT2AP2RX7SIGMAR1
SCHEMBL18751212 0.73 SIGMAR1 (0.60) BACE1MEN1KMT2AP2RX7SIGMAR1
SCHEMBL5374194 0.73 BACE1 (0.56) BACE1ACHEMEN1KMT2AP2RX7
SCHEMBL6220780 0.72 SIGMAR1 (0.61) MEN1KMT2AMAPTSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809639-A2 8A, 9-DIHYDRO-4A-H-ISOTHIAZOLO[5,4-B] QUINOLINE-3, 4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS Achillion Pharmaceuticals, Inc. (US) 2007-07-25 EP claimed
WO-2006118605-A2 8A, 9-DIHYDRO-4A-H-ISOTHIAZOLO[5,4-B] QUINOLINE-3, 4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2006-11-09 WO claimed
US-20080045537-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-02-21 US disclosed
US-20080045537-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-02-21 US disclosed
US-20080045537-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-02-21 US disclosed
EP-1789045-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-30 EP disclosed
WO-2006023400-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-02 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-20080045537-A1 Chemical Compounds CCR5, CXCR4, CXCR3 BACE1 1868/4885ACHE 4800/4885MEN1 4745/4885

“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.