SCHEMBL5757173

SCHEMBL5757173

[c]1nc2ccccc2cc1OCc1cnccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.36
CYP2A6 P11509 1/20 0.35
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
PDE10A Q9Y233 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
CYSLTR1 Q9Y271 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
STAT3 P40763 1/20 0.33

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
SCHEMBL5757239 0.85 SYK (0.40) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL5761455 0.80 HTT (0.38) PDE10ACYP1A2CYP3A4PDGFRBPDGFRA
SCHEMBL1758450 0.76 TLR8 (0.49) PDE10ACYP1A2STAT3HTTSMN1; SMN2
SCHEMBL5759403 0.73 HTT (0.33) CYSLTR1CYSLTR2STAT3HTTSMN1; SMN2
SCHEMBL5759121 0.73 RAB9A (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5761138 0.73 IDO1 (0.36) IDO1GABRA1GABRG2GABRB3GABRA5
SCHEMBL5758357 0.71 GAA (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5757132 0.71 TSHR (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4920374 0.71 TLR8 (0.51) PDE10ACYP1A2CYP2C19CYSLTR1CYSLTR2
SCHEMBL5756958 0.71 GABRA1 (0.39) IDO1GABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1104403-B1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS PFIZER PROD INC (US) 2006-05-10 EP disclosed
US-20050215549-A1 TACE inhibitors MCCLURE KIM F 2005-09-29 US disclosed
EP-1104412-B1 TACE INHIBITORS PFIZER PROD INC (US) 2005-06-15 EP disclosed
US-20030181441-A1 TACE INHIBITORS McCLURE Kim (US) 2003-09-25 US disclosed
US-6608104-B2 Antiarthritic agents; anticancer agents PFIZER INC 2003-08-19 US disclosed
US-6329397-B1 TREATMENT OF A CONDITION SELECTED FROM THE GROUP CONSISTING OF ARTHRITIS, CANCER, AND OTHER DISEASES CHARACTERIZED BY MATRIX METALLOPROTEINASE OR MAMMALIAN REPROLYSIN ACTIVITY. PFIZER 2001-12-11 US disclosed
EP-1138680-A1 Gem substituted sulfonyl hydroxamic acids as MMP inhibitors Pfizer Products Inc. (US) 2001-10-04 EP disclosed
EP-1104412-A1 TACE INHIBITORS Pfizer Products Inc. (US) 2001-06-06 EP disclosed
EP-1104403-A1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS Pfizer Products Inc. (US) 2001-06-06 EP disclosed
WO-2000009485-A1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 WO disclosed
WO-2000009492-A1 TACE INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 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 (2 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-20030181441-A1 TACE INHIBITORS ADAMTS5, ADAMTS1, MMP2 IDO1 2612/4885CYP2A6 1588/4885GABRA1 4862/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 IDO1 2922/4885CYP2A6 2026/4885GABRA1 4874/4885

“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.