SCHEMBL5757008

SCHEMBL5757008

[c]1ccc(OCc2nc3ccccc3o2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 4/20 0.49
TP53 P04637 3/20 0.49
LMNA P02545 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.47
PDE10A Q9Y233 2/20 0.47
ALOX5 P09917 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.42
GFER P55789 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PSMB8 P28062 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
ALDH1A1 P00352 3/20 0.38

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
SCHEMBL10547054 0.87 NPC1 (0.59) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL30354950 0.82 RAB9A (0.60) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL5757002 0.78 NPC1 (0.51) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL29151231 0.76 MMP2 (0.56) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL30354802 0.76 MMP2 (0.56) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL5473137 0.74 NPC1 (0.63) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL14584995 0.74 NPC1 (0.63) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL15662261 0.74 NPC1 (0.63) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL24130017 0.73 PDE10A (0.46) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL9427391 0.73 ALOX5 (0.48) NPC1RAB9AMAPTSMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1104412-B1 TACE INHIBITORS PFIZER PROD INC (US) 2005-06-15 EP claimed
US-20030181441-A1 TACE INHIBITORS McCLURE Kim (US) 2003-09-25 US claimed
US-6608104-B2 Antiarthritic agents; anticancer agents PFIZER INC 2003-08-19 US claimed
US-20020019534-A1 Gem substituted hydroxamic acids PFIZER INC. 2002-02-14 US claimed
EP-1104412-A1 TACE INHIBITORS Pfizer Products Inc. (US) 2001-06-06 EP claimed
WO-2000009492-A1 TACE INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 WO claimed
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-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MCCLURE KIM F (US) 2003-01-09 US disclosed
US-20020019534-A1 Gem substituted hydroxamic acids PFIZER INC. 2002-02-14 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
CN-1316995-A Hydroxy 2-piperidinoate hydroxamic acid derivatives as MMP inhibitors PFIZER PROD INC (US) 2001-10-10 CN 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 (4 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 NPC1 1072/4885RAB9A 399/4885MAPT 2382/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 NPC1 1698/4885RAB9A 502/4885MAPT 1916/4885
US-20020019534-A1 Gem substituted hydroxamic acids MMP14, TOP2A, ADAMTS1 NPC1 2604/4885RAB9A 1591/4885MAPT 2469/4885
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 NPC1 3537/4885RAB9A 1158/4885MAPT 3237/4885

“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.