SCHEMBL4506487

SCHEMBL4506487

CCC(Nc1ccc(-c2cc(Cl)c(O)c(Cl)c2)nn1)c1ccc(OC)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 6/20 0.48
▸ PSEN2 P49810 6/20 0.48
▸ APH1B Q8WW43 6/20 0.48
▸ NCSTN Q92542 6/20 0.48
▸ APH1A Q96BI3 6/20 0.48
▸ PSENEN Q9NZ42 6/20 0.48
▸ CXCR2 P25025 2/20 0.42
▸ PDE2A O00408 3/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ RPS6KA1 Q15418 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ USP2 O75604 1/20 0.34

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
SCHEMBL4508586 0.82 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3246733 0.71 ALDH1A1 (0.45) NPC1ALDH1A1HTTRAB9ASMN1; SMN2
SCHEMBL12065054 0.69 CCNC (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13075670 0.69 PDE2A (0.44) CXCR2PDE2AMAPK1RPS6KA1HTT
SCHEMBL4504228 0.68 CRHR1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3247676 0.66 IL1B (0.40) NPC1ALDH1A1RAB9AMAPT
SCHEMBL4492347 0.65 ENPP2 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8038788 0.65 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8057713 0.63 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12297021 0.63 CYP3A4 (0.50) MAPK1HTTRAB9ASMN1; SMN2

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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