SCHEMBL4504228

SCHEMBL4504228

COCC(Cc1ccccc1)Nc1ccc(-c2cc(Cl)c(O)c(Cl)c2)nn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 3/20 0.37
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ MAPK1 P28482 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ CASR P41180 1/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ENPP2 Q13822 1/20 0.34
▸ ACHE P22303 3/20 0.32
▸ CDK2 P24941 1/20 0.32

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
SCHEMBL4498654 0.88 ENPP2 (0.35) MAPK1NPC1USP2TP53RAB9A
SCHEMBL4504457 0.87 ENPP2 (0.42) MAPK1CYP3A4CASRENPP2ACHE
SCHEMBL4516940 0.83 LMNA (0.39) MAPK1NPC1RAB9A
SCHEMBL4502158 0.76 ENPP2 (0.40) MAPK1CYP3A4CASRNPC1USP2
SCHEMBL4502225 0.75 ENPP2 (0.35) MAPK1ENPP2
SCHEMBL3242951 0.74 MAPT (0.50) MAPK1CYP3A4NPC1RAB9ASMN1; SMN2
SCHEMBL4490949 0.73 NR1H2 (0.38) CYP3A4CASRNPC1TP53RAB9A
SCHEMBL4493361 0.72 ACHE (0.44) NPC1USP2TP53RAB9ASMN1; SMN2
SCHEMBL4513405 0.71 ENPP2 (0.34) ENPP2
SCHEMBL3246273 0.70 CRHR1 (0.38) CRHR1MAPK1KCNH2CASRNPC1

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 CRHR1 2184/4885PSEN1 3768/4885PSEN2 4111/4885

“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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