SCHEMBL5758366

SCHEMBL5758366

[c]1nc(OCc2ncco2)cc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 7/20 0.35
HDAC4 P56524 7/20 0.35
HDAC1 Q13547 7/20 0.35
HDAC7 Q8WUI4 7/20 0.35
HDAC2 Q92769 7/20 0.35
HDAC10 Q969S8 7/20 0.35
HDAC11 Q96DB2 7/20 0.35
HDAC8 Q9BY41 7/20 0.35
HDAC6 Q9UBN7 7/20 0.35
HDAC9 Q9UKV0 7/20 0.35
HDAC5 Q9UQL6 7/20 0.35
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
NTRK1 P04629 1/20 0.32
NTRK3 Q16288 1/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 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
SCHEMBL5758395 0.81 GAA (0.40) NPC1RAB9ASMN1; SMN2GAATP53
SCHEMBL5756817 0.80 CYP3A4 (0.34) HDAC1HDAC8HDAC6NPC1RAB9A
SCHEMBL5760008 0.77 GRM5 (0.41) SMN1; SMN2
SCHEMBL5758319 0.75 HTT (0.36) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL5761138 0.74 IDO1 (0.36) NTRK1
SCHEMBL5758030 0.74 NTRK1 (0.33) NPC1RAB9ANTRK1MAPTNFKB1
SCHEMBL5759403 0.74 HTT (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7007243 0.70 RAB9A (0.50) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL5757727 0.69 KLK1 (0.32) KLK1KLK5
SCHEMBL5761509 0.69

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 9 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-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-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 HDAC3 394/4885HDAC4 774/4885HDAC1 363/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 HDAC3 451/4885HDAC4 1273/4885HDAC1 286/4885

“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.