SCHEMBL4506568

SCHEMBL4506568

CC(Nc1ccc(-c2cc(Cl)c(O)c(Cl)c2)nn1)c1cccc(Oc2ccccn2)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 5/20 0.37
▸ PSEN2 P49810 5/20 0.37
▸ APH1B Q8WW43 5/20 0.37
▸ NCSTN Q92542 5/20 0.37
▸ APH1A Q96BI3 5/20 0.37
▸ PSENEN Q9NZ42 5/20 0.37
▸ PFKFB3 Q16875 7/20 0.37
▸ ROCK2 O75116 2/20 0.36
▸ PRKG1 Q13976 1/20 0.36
▸ SLC2A1 P11166 1/20 0.35
▸ ACACB O00763 1/20 0.35
▸ ACACA Q13085 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ GRM5 P41594 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ P4HB P07237 1/20 0.34
▸ MCL1 Q07820 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
SCHEMBL3243674 0.73 MAP2K7 (0.40) ROCK2MAP4K4GRM5
SCHEMBL19317584 0.68 TLR4 (0.47) MAP4K4GRM5
SCHEMBL4508586 0.68 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6486957 0.66 GRM5 (0.46) MAP4K4GRM5
SCHEMBL6202839 0.66 GRM5 (0.46) MAP4K4GRM5
SCHEMBL3232669 0.66 MGLL (0.34) —
SCHEMBL6487046 0.65 ACACB (0.44) ROCK2PRKG1ACACBACACAROCK1
SCHEMBL6204510 0.65 ACACB (0.44) ROCK2PRKG1ACACBACACAROCK1
SCHEMBL4504228 0.64 CRHR1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6496338 0.63 ACACB (0.39) ROCK2ACACBACACA

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-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — 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-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 PSEN1 3768/4885PSEN2 4111/4885APH1B 3259/4885

“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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