SCHEMBL2396935

SCHEMBL2396935

O=C(NC(c1ccccc1)c1ccc(Cl)cc1)c1ncn(-c2cc(Cl)c(O)c(Cl)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
TP53 P04637 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
POLB P06746 2/20 0.45
ABCB1 P08183 1/20 0.45
S1PR3 Q99500 6/20 0.42
S1PR1 P21453 2/20 0.42
S1PR2 O95136 4/20 0.41
S1PR4 O95977 4/20 0.41
SLC6A9 P48067 3/20 0.41
SLC6A5 Q9Y345 3/20 0.41
NOTUM Q6P988 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CNR1 P21554 1/20 0.40

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
SCHEMBL2365024 0.96 MAPT (0.51) MAPTTP53SMN1; SMN2POLBABCB1
SCHEMBL2396932 0.88 MAPT (0.42) MAPTTP53SMN1; SMN2POLBABCB1
SCHEMBL7934076 0.82 MAPT (0.41) MAPTTP53SMN1; SMN2POLBS1PR3
SCHEMBL2400241 0.81 MAPT (0.52) MAPTTP53SMN1; SMN2POLB
SCHEMBL2396967 0.79 EPHX2 (0.48) MAPTTP53SMN1; SMN2POLBALDH1A1
SCHEMBL4499449 0.78 MAPT (0.57) MAPTTP53SMN1; SMN2POLBNOTUM
SCHEMBL2214728 0.77 CNR1 (0.45) MAPTTP53SMN1; SMN2POLBNOTUM
SCHEMBL2214252 0.76 LMNA (0.45) SMN1; SMN2POLBNOTUMLMNACNR1
SCHEMBL2215697 0.73 NOTUM (0.49) MAPTTP53SMN1; SMN2POLBNOTUM
SCHEMBL2399017 0.73 MAPT (0.46) MAPTTP53SMN1; SMN2POLBNOTUM

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-09-29 US claimed
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-09-29 US disclosed
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-09-29 US disclosed
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-09-29 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 US disclosed
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 (3 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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 MAPT 4877/4885TP53 721/4885SMN1; SMN2 4546/4885
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES CFTR, PKD1, PKD2 MAPT 4644/4885TP53 919/4885SMN1; SMN2 4721/4885
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.