SCHEMBL5755801

SCHEMBL5755801

[c]1oc2ccccc2c1OCc1ncccn1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
FAAH O00519 1/20 0.31
MGLL Q99685 1/20 0.31
PSMB8 P28062 1/20 0.31
PSMB5 P28074 1/20 0.31
SORD Q00796 1/20 0.30

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
SCHEMBL5759834 0.84 GABRA1 (0.41) MAPTKDM4EALDH1A1GABRA1GABRG2
SCHEMBL5758240 0.79 CYP1B1 (0.31)
SCHEMBL5760006 0.78 GABRA1 (0.43) KDM4EGABRA1GABRG2GABRB3GABRA5
SCHEMBL5757552 0.78 GABRA1 (0.38) MAPTKDM4EGABRA1GABRG2GABRB3
SCHEMBL9593534 0.76 LMNA (0.38) MAPTKDM4EALDH1A1GABRA1GABRG2
SCHEMBL5761698 0.75 GAA (0.43) MAPTALDH1A1GABRA1GABRG2GABRB3
SCHEMBL5759357 0.75 GABRA1 (0.41) ALDH1A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL8916510 0.70 ALDH1A1 (0.37) ALDH1A1FAAHMGLL
SCHEMBL2072098 0.70 ALDH1A1 (0.39) MAPTNPC1KDM4EALDH1A1
SCHEMBL5757538 0.68 GABRP (0.33) MAPTNPC1KDM4EGABRA1GABRG2

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 8 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-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MCCLURE KIM F (US) 2003-01-09 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 MAPT 2382/4885NPC1 1072/4885KDM4E 3142/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 MAPT 1916/4885NPC1 1698/4885KDM4E 3458/4885
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 MAPT 3237/4885NPC1 3537/4885KDM4E 3877/4885

“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.