SCHEMBL5758595

SCHEMBL5758595

[c]1nc2c(OCc3ncccn3)cccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ABCB1 P08183 1/20 0.36
CBFB Q13951 1/20 0.35
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
PDE5A O76074 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL5759424 0.84 SYK (0.46) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL5944109 0.82 MAPT (0.47) NPC1RAB9AMAPTMAPK1MEN1
SCHEMBL5757135 0.80 MAPT (0.34) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL10832867 0.80 CBFB (0.46) MAPTSMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL5759007 0.79 CHRM2 (0.36) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL5757783 0.77 HTT (0.40) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL5761998 0.77 GAA (0.39) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL9167531 0.76 MCHR1 (0.48) NPC1RAB9AMAPTSMN1; SMN2MAPK1
SCHEMBL557929 0.74 KEAP1 (0.44) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL5756170 0.70 NPC1 (0.36) 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 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 NPC1 1072/4885RAB9A 399/4885MAPT 2382/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 NPC1 1698/4885RAB9A 502/4885MAPT 1916/4885
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.