SCHEMBL4499449

SCHEMBL4499449

O=C(Nc1ccc(Cl)cc1)c1ncn(-c2cc(Cl)c(O)c(Cl)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.57
TP53 P04637 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.54
POLB P06746 3/20 0.48
NOTUM Q6P988 1/20 0.46
LMNA P02545 1/20 0.43
P2RX1 P51575 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
PTGS1 P23219 1/20 0.41
TBXAS1 P24557 1/20 0.41
MAPK1 P28482 1/20 0.41
PTGS2 P35354 1/20 0.41
MAPK14 Q16539 1/20 0.41
AURKA O14965 2/20 0.41

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
SCHEMBL31301393 0.87 TP53 (0.65) MAPTTP53SMN1; SMN2POLBNOTUM
SCHEMBL31301653 0.82 MAPT (0.66) MAPTTP53SMN1; SMN2POLBNOTUM
SCHEMBL2214252 0.82 LMNA (0.45) SMN1; SMN2POLBNOTUMLMNACNR1
SCHEMBL31301494 0.81 MAPT (0.61) MAPTTP53SMN1; SMN2POLBAURKA
SCHEMBL31301448 0.81 TP53 (0.77) MAPTTP53SMN1; SMN2POLBLMNA
SCHEMBL31301569 0.79 MAPT (0.78) MAPTTP53SMN1; SMN2POLBLMNA
SCHEMBL2396935 0.78 MAPT (0.47) MAPTTP53SMN1; SMN2POLBNOTUM
SCHEMBL31301433 0.78 MAPT (0.70) MAPTTP53SMN1; SMN2POLB
SCHEMBL31301518 0.78 MAPT (0.58) MAPTTP53SMN1; SMN2POLBNOTUM
SCHEMBL31301302 0.78 MAPT (0.56) MAPTTP53SMN1; SMN2POLBLMNA

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 MAPT 4877/4885TP53 721/4885SMN1; SMN2 4546/4885

“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.