SCHEMBL5757549

SCHEMBL5757549

[c]1nc2c(OCc3cnccn3)cccc2o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.38
KDM4E B2RXH2 2/20 0.33
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
SGMS2 Q8NHU3 7/20 0.32
ERBB2 P04626 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PSMB8 P28062 1/20 0.31
PSMB5 P28074 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 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
SCHEMBL5758887 0.84 ABCB1 (0.45) SYKKDM4EALDH1A1
SCHEMBL5760179 0.79 NPC1 (0.36) KDM4ENPC1RAB9AALDH1A1GAA
SCHEMBL5757369 0.74 SYK (0.38) SYKKDM4EGABRA1GABRG2GABRB3
SCHEMBL5757432 0.74 SYK (0.40) SYKKDM4EGABRA1GABRG2GABRB3
SCHEMBL5762107 0.73 GAA (0.40) KDM4EGABRA1GABRG2GABRB3GABRA5
SCHEMBL5829689 0.71 ADRA1A (0.34) ADRA1AADRA1B
SCHEMBL940312 0.69 NQO2 (0.42) KDM4ENPC1RAB9APSMB8ALDH1A1
SCHEMBL5760006 0.68 GABRA1 (0.43) SYKKDM4EGABRA1GABRG2GABRB3
SCHEMBL12100593 0.67 SYK (0.51) SYKKDM4EALDH1A1KAT7KAT6A
SCHEMBL5759438 0.64 GABRA1 (0.32) SYKGABRA1GABRG2GABRB3GABRA5

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 10 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-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 (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 SYK 4127/4885KDM4E 3142/4885GABRA1 4862/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 SYK 4166/4885KDM4E 3458/4885GABRA1 4874/4885
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 SYK 4735/4885KDM4E 3877/4885GABRA1 4698/4885

“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.