SCHEMBL7208861

SCHEMBL7208861

[c]1ccc(OCc2cccnn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.42
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PARP10 Q53GL7 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
GABRA2 P47869 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP11B2 P19099 1/20 0.35
LMNA P02545 1/20 0.34
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL30354934 0.79 MAOB (0.49) KCNH2GABRA1GABRG2GABRB3GABRA5
SCHEMBL864159 0.79 KDM4E (0.58) KCNH2KDM4EALDH1A1SMN1; SMN2PARP10
SCHEMBL23537969 0.76 KCNH2 (0.39) KCNH2GABRA1GABRG2GABRB3GABRA5
SCHEMBL1224922 0.74 SYK (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5758916 0.73 GABRA1 (0.40) KCNH2GABRA1GABRG2GABRB3GABRA5
SCHEMBL30354871 0.73 LMNA (0.68) LMNACYP19A1MAPT
SCHEMBL29151292 0.73 LMNA (0.68) LMNACYP19A1MAPT
SCHEMBL28210941 0.73 CYP1A2 (0.38) KCNH2ALDH1A1CTDSP1CYP1A2CYP2D6
SCHEMBL863735 0.72 SMN1; SMN2 (0.40) KCNH2KDM4EALDH1A1SMN1; SMN2PARP10
SCHEMBL864107 0.71 KCNH2 (0.53) KCNH2KDM4EALDH1A1SMN1; SMN2LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6608104-B2 Antiarthritic agents; anticancer agents PFIZER INC 2003-08-19 US disclosed
US-20020019534-A1 Gem substituted hydroxamic acids PFIZER INC. 2002-02-14 US disclosed
EP-1138680-A1 Gem substituted sulfonyl hydroxamic acids as MMP inhibitors Pfizer Products Inc. (US) 2001-10-04 EP 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 (1 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-20020019534-A1 Gem substituted hydroxamic acids MMP14, TOP2A, ADAMTS1 KCNH2 3773/4885GABRA1 4830/4885GABRG2 4803/4885

“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.