SCHEMBL6499677

SCHEMBL6499677

Cc1cc(C)cc(C(C=O)c2ccnc(C)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.42
PSEN1 P49768 5/20 0.40
PSEN2 P49810 5/20 0.40
APH1B Q8WW43 5/20 0.40
NCSTN Q92542 5/20 0.40
APH1A Q96BI3 5/20 0.40
PSENEN Q9NZ42 5/20 0.40
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
DYRK1A Q13627 1/20 0.30

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
SCHEMBL6499586 0.87 PSEN1 (0.44) UHRF1PSEN1PSEN2APH1BNCSTN
SCHEMBL5899050 0.84 NOS3 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3660321 0.83 PSEN1 (0.40) UHRF1PSEN1PSEN2APH1BNCSTN
SCHEMBL6499767 0.81 CYP3A4 (0.35)
SCHEMBL7394777 0.81 PTGDR2 (0.38) UHRF1PSEN1PSEN2APH1BNCSTN
SCHEMBL6502000 0.80 NOS3 (0.34)
SCHEMBL27924262 0.75 UHRF1 (0.43) UHRF1PSEN1PSEN2APH1BNCSTN
SCHEMBL6503969 0.74 GABRA5 (0.39)
SCHEMBL4061188 0.74 UHRF1 (0.42) UHRF1PSEN1PSEN2APH1BNCSTN
Bromide SCHEMBL14676184 0.72 UHRF1 (0.41) UHRF1PSEN1PSEN2APH1BNCSTN

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 UHRF1 4269/4885PSEN1 3987/4885PSEN2 4121/4885

“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.