SCHEMBL4508586

SCHEMBL4508586

CCC(Nc1ccc(-c2cc(Cl)c(O)c(Cl)c2)nn1)c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 2/20 0.42
▸ PSEN2 P49810 2/20 0.42
▸ APH1B Q8WW43 2/20 0.42
▸ NCSTN Q92542 2/20 0.42
▸ APH1A Q96BI3 2/20 0.42
▸ PSENEN Q9NZ42 2/20 0.42
▸ CXCR1 P25024 2/20 0.39
▸ CXCR2 P25025 2/20 0.39
▸ RPS6KB1 P23443 2/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ FAAH O00519 2/20 0.36
▸ CCNT1 O60563 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CDK7 P50613 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ CTSA P10619 1/20 0.35

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
SCHEMBL4506487 0.82 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4492347 0.70 ENPP2 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8057713 0.68 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3247676 0.68 IL1B (0.40) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL4506568 0.68 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3232567 0.67 S1PR1 (0.41) S1PR1
SCHEMBL4513405 0.67 ENPP2 (0.34) CXCR2CCNT1CDK9CCNCCDK8
SCHEMBL4504228 0.66 CRHR1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3242951 0.65 MAPT (0.50) MEN1NPC1RAB9AKMT2ALMNA
SCHEMBL13075546 0.65 RPS6KB1 (0.43) CXCR1CXCR2RPS6KB1

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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