SCHEMBL5759799

SCHEMBL5759799

[c]1nccc(OCc2ccccn2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ABCB1 P08183 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
PARP10 Q53GL7 1/20 0.41
MAPT P10636 1/20 0.41
LIN28A Q9H9Z2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SYK P43405 7/20 0.40
AURKB Q96GD4 3/20 0.39
INCENP Q9NQS7 3/20 0.39
GRM5 P41594 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HRH1 P35367 1/20 0.38
NPC1 O15118 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
SCHEMBL5759567 0.81 HDAC1 (0.31)
SCHEMBL6771165 0.79 LTA4H (0.41) SMN1; SMN2ABCB1MAPTTDP1CYP1A2
SCHEMBL5757256 0.79 GABRA1 (0.34) SYKCYP1A2CYP3A4CYP2C9
SCHEMBL11354880 0.76 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EALDH1A1ABCB1HTR1A
SCHEMBL5757215 0.72 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EALDH1A1ABCB1HTR1A
SCHEMBL5757688 0.72 PARP10 (0.43) SMN1; SMN2KDM4EALDH1A1ABCB1HTR1A
SCHEMBL5759780 0.72 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EALDH1A1ABCB1HTR1A
SCHEMBL5759997 0.71 HTT (0.39) SMN1; SMN2KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL1526656 0.71
SCHEMBL6965549 0.71

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-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-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-1138680-A1 Gem substituted sulfonyl hydroxamic acids as MMP inhibitors Pfizer Products Inc. (US) 2001-10-04 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

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

“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.