SCHEMBL6499586

SCHEMBL6499586

Cc1cccc(C(C=O)c2ccnc(C)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 10/20 0.44
PSEN2 P49810 10/20 0.44
APH1B Q8WW43 10/20 0.44
NCSTN Q92542 10/20 0.44
APH1A Q96BI3 10/20 0.44
PSENEN Q9NZ42 10/20 0.44
UHRF1 Q96T88 1/20 0.44
ACP3 P15309 1/20 0.36
KDM5A P29375 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ACHE P22303 1/20 0.33
MAPK14 Q16539 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KMO O15229 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
SCHEMBL6499677 0.87 UHRF1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3660321 0.87 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9729373 0.85 ACHE (0.46) ACP3ALDH1A1ACHECYP19A1
SCHEMBL6510105 0.84 MAPKAPK2 (0.44) ACP3MAPKAPK2ACHEMAPK14CYP19A1
SCHEMBL1515743 0.80 ACP3 (0.50) ACP3ACHE
SCHEMBL3903975 0.78 CYP11B1 (0.44) MAPKAPK2CYP19A1CYP11B1
SCHEMBL7394777 0.78 PTGDR2 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3904396 0.77 SLC6A2 (0.42) ACP3ALDH1A1
SCHEMBL3908501 0.76 TRPM8 (0.40) ACP3ALDH1A1ACHE
SCHEMBL27924262 0.73 UHRF1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A

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-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 PSEN1 3987/4885PSEN2 4121/4885APH1B 2830/4885

“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.