SCHEMBL2396967

SCHEMBL2396967

O=C(NCCC(c1ccccc1)c1ccccc1)c1ncn(-c2cc(Cl)c(O)c(Cl)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.48
MAPT P10636 6/20 0.47
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
F9 P00740 3/20 0.42
CASR P41180 2/20 0.42
F10 P00742 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
USP30 Q70CQ3 1/20 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
SCHEMBL2400241 0.89 MAPT (0.52) MAPTTP53SMN1; SMN2POLBF9
SCHEMBL2365024 0.82 MAPT (0.51) MAPTTP53SMN1; SMN2POLBLMNA
SCHEMBL2399017 0.79 MAPT (0.46) MAPTTP53SMN1; SMN2POLBCYP2C19
SCHEMBL2396935 0.79 MAPT (0.47) MAPTTP53SMN1; SMN2POLBLMNA
SCHEMBL2397327 0.77 LIPG (0.47) MAPTTP53SMN1; SMN2POLBUSP30
SCHEMBL2214186 0.77 SMN1; SMN2 (0.46) MAPTTP53SMN1; SMN2POLBLMNA
SCHEMBL2213974 0.76 KLKB1 (0.59) EPHX2MAPTTP53SMN1; SMN2POLB
SCHEMBL2214252 0.76 LMNA (0.45) SMN1; SMN2POLBLMNAHPGDCYP2C9
SCHEMBL2399044 0.75 NPC1 (0.46) MAPTTP53POLB
SCHEMBL2397972 0.75 NOTUM (0.51) LMNAHPGDALDH1A1

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 EPHX2 1245/4885MAPT 4877/4885TP53 721/4885
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES CFTR, PKD1, PKD2 EPHX2 3156/4885MAPT 4644/4885TP53 919/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 EPHX2 1245/4885MAPT 4877/4885TP53 721/4885

“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.