SCHEMBL7111069

SCHEMBL7111069

COc1n[c]c2ccccc2c1-c1ncccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
MAPT P10636 8/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GAA P10253 1/20 0.37
CLK4 Q9HAZ1 2/20 0.35
L3MBTL1 Q9Y468 6/20 0.35
RECQL P46063 1/20 0.35
LMNA P02545 6/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
ABCB1 P08183 2/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
TRPM8 Q7Z2W7 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MITF O75030 1/20 0.33
POLB P06746 1/20 0.33
DYRK1A Q13627 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
SCHEMBL7447549 0.88 MAPT (0.43) ALDH1A1CYP1A2CYP2C19MAPTNPSR1
SCHEMBL7107250 0.80 RECQL (0.40) ALDH1A1CYP1A2CYP2C19MAPTNPSR1
SCHEMBL7111035 0.79 BRD4 (0.37) ALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL7110679 0.79 PDPK1 (0.38) ALDH1A1CYP1A2CYP2C19RECQL
SCHEMBL9218409 0.75 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP2C19MAPTCYP2C9
SCHEMBL638668 0.75 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP2C19MAPTL3MBTL1
SCHEMBL637848 0.73 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2C19MAPTLMNA
SCHEMBL7449092 0.69 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP2C19MAPTNPSR1
SCHEMBL7018481 0.67 RAB9A (0.39) ALDH1A1CYP1A2CYP2C19MAPTLMNA
SCHEMBL23674777 0.66 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C19MAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MCCLURE KIM F (US) 2003-01-09 US 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-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 ALDH1A1 2265/4885CYP1A2 3206/4885CYP2C19 3639/4885

“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.