SCHEMBL2397302

SCHEMBL2397302

O=C(NCc1ccc(Oc2ccc(OCc3ccccc3)c(F)c2)cc1)c1ncn(-c2cc(Cl)c(O)c(Cl)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.49
KLK1 P06870 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.42
HPGD P15428 3/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGER1 P34995 3/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
S1PR5 Q9H228 1/20 0.38
POLB P06746 2/20 0.38
SGMS2 Q8NHU3 1/20 0.38

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
SCHEMBL2396941 0.93 KLKB1 (0.51) KLKB1KLK1SMN1; SMN2HPGDALDH1A1
SCHEMBL2213974 0.87 KLKB1 (0.59) KLKB1KLK1SMN1; SMN2HPGDALDH1A1
SCHEMBL2398031 0.87 KLKB1 (0.49) KLKB1KLK1SMN1; SMN2HPGDALDH1A1
SCHEMBL2220555 0.86 KLKB1 (0.46) KLKB1KLK1SMN1; SMN2MAPTPOLB
SCHEMBL2214888 0.82 KLKB1 (0.43) KLKB1KLK1MAPTPOLB
SCHEMBL2397861 0.82 KLKB1 (0.49) KLKB1KLK1SMN1; SMN2HPGDMAPT
SCHEMBL2397916 0.81 HSD17B13 (0.47) KLKB1KLK1SMN1; SMN2HPGDALDH1A1
SCHEMBL2398166 0.80 KLKB1 (0.44) KLKB1KLK1MAPK1MEN1KMT2A
SCHEMBL2398093 0.79 KLKB1 (0.45) KLKB1KLK1LMNAMEN1KMT2A
SCHEMBL2398518 0.79 KLKB1 (0.46) KLKB1KLK1L3MBTL1NPC1RAB9A

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 7 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 KLKB1 2055/4885KLK1 1664/4885SMN1; SMN2 4546/4885
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES CFTR, PKD1, PKD2 KLKB1 1321/4885KLK1 1339/4885SMN1; SMN2 4721/4885

“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.