SCHEMBL6239562

SCHEMBL6239562

[c]1c(OCc2ccccn2)ccc2c1[nH]c1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
PDE2A O00408 1/20 0.38
CXCR4 P61073 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HTR2C P28335 1/20 0.36
PARP1 P09874 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
ABCB1 P08183 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
PARP10 Q53GL7 1/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL5759345 0.86 HSD17B10 (0.37) MAOAKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL5756740 0.86 GABRA1 (0.39) MAOAKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL5759399 0.80 MEN1 (0.35) MAOAKDM4EALDH1A1HSD17B10PARP1
SCHEMBL5757920 0.79 SIGMAR1 (0.37) KDM4EALDH1A1HSD17B10SMN1; SMN2GABRA1
SCHEMBL5759048 0.75 TSHR (0.40) KDM4EALDH1A1HSD17B10GABRA1GABRG2
SCHEMBL6897737 0.72 ALDH1A1 (0.45) KDM4EALDH1A1HSD17B10SMN1; SMN2GABRA1
SCHEMBL31473925 0.71 MAOA (0.51) MAOACXCR4KDM4EALDH1A1HSD17B10
SCHEMBL11143149 0.71 LRRK2 (0.43) MAOAKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL328963 0.70 ALDH1A1 (0.41) KDM4EALDH1A1HSD17B10PARP1GABRA1
SCHEMBL5757416 0.68 HTR2C (0.41) MAOAKDM4EALDH1A1HSD17B10SMN1; SMN2

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
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 MAOA 4209/4885PDE2A 1671/4885CXCR4 458/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 MAOA 4023/4885PDE2A 1529/4885CXCR4 535/4885

“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.