SCHEMBL12092463

SCHEMBL12092463

Cc1cccc(-n2c(-c3cccnc3)cc3ccccc32)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 2/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ CYP2A6 P11509 3/20 0.43
▸ PSD A5PKW4 1/20 0.43
▸ GABRG2 P18507 1/20 0.43
▸ GABRB3 P28472 1/20 0.43
▸ GABRA3 P34903 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ APP P05067 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NPY5R Q15761 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ BCR P11274 1/20 0.40
▸ CYP11B2 P19099 2/20 0.39

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
SCHEMBL9507245 0.86 AOC3 (0.63) AOC3KCNH2CYP2A6TSHRAPP
SCHEMBL12092462 0.85 KDM4E (0.50) AOC3KCNH2APPALDH1A1KDM4E
SCHEMBL12091866 0.81 KMO (0.56) AOC3KCNH2MAPTTSHRAPP
SCHEMBL12091794 0.81 AOC3 (0.52) AOC3KCNH2TSHRAPPCYP1A2
SCHEMBL12092461 0.76 TGFBR1 (0.44) NPSR1POLBALDH1A1KDM4EL3MBTL1
SCHEMBL16016104 0.76 APP (0.51) AOC3KCNH2MAPTTSHRAPP
SCHEMBL7808056 0.75 KMT2A (0.67) AOC3KCNH2CYP2A6MAPTAPP
SCHEMBL13425013 0.74 KMT2A (0.55) TSHRAPPALDH1A1KDM4EL3MBTL1
SCHEMBL15694852 0.74 AOC3 (0.57) AOC3KCNH2CYP2A6MAPTNPSR1
SCHEMBL12091860 0.73 KMO (0.54) AOC3KCNH2TSHRAPPABL1

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-20120225873-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE MYREXIS, INC. (US) 2012-09-06 — — 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-20120225873-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE PSEN2, CHAT, PSEN1 AOC3 38/4885KCNH2 1726/4885CYP2A6 1111/4885

“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.

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