SCHEMBL5757074

SCHEMBL5757074

[c]1[nH]c(OCc2ccccn2)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SYK P43405 6/20 0.40
MAOA P21397 1/20 0.39
GABRA1 P14867 4/20 0.39
GABRG2 P18507 4/20 0.39
GABRB3 P28472 4/20 0.39
GABRA5 P31644 4/20 0.39
GABRA3 P34903 4/20 0.39
GABRA2 P47869 4/20 0.39
ABCB1 P08183 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
PARP10 Q53GL7 1/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 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
SCHEMBL5759992 0.84 ABCB1 (0.32) KDM4ESYKABCB1HTR1AMAPT
SCHEMBL5760463 0.84 GABRA1 (0.40) KDM4ESYKGABRA1GABRG2GABRB3
SCHEMBL5757416 0.73 HTR2C (0.41) KDM4EALDH1A1SMN1; SMN2SYKMAOA
SCHEMBL5758718 0.72 GAA (0.42) KDM4EALDH1A1SMN1; SMN2GABRA1GABRG2
SCHEMBL5757896 0.70 SYK (0.40) KDM4EALDH1A1SMN1; SMN2SYKMAOA
SCHEMBL493397 0.66 HRH1 (0.52) KDM4EALDH1A1SMN1; SMN2SYKMAOA
SCHEMBL3515049 0.66 SMN1; SMN2 (0.45) KDM4EALDH1A1SMN1; SMN2SYKABCB1
SCHEMBL5760008 0.66 GRM5 (0.41) KDM4EALDH1A1SMN1; SMN2SYKABCB1
SCHEMBL5757688 0.66 PARP10 (0.43) KDM4EALDH1A1SMN1; SMN2SYKABCB1
SCHEMBL6445371 0.65 KCNH2 (0.67) KDM4EALDH1A1SMN1; SMN2SYKABCB1

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 KDM4E 3142/4885ALDH1A1 2961/4885SMN1; SMN2 3890/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 KDM4E 3458/4885ALDH1A1 2994/4885SMN1; SMN2 3804/4885
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 KDM4E 3877/4885ALDH1A1 2265/4885SMN1; SMN2 3318/4885

“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.