SCHEMBL2397639

SCHEMBL2397639

O=C(NCc1ccc(Oc2cccc(N3CCCC3)c2)cc1)c1ncn(-c2cc(Cl)c(O)c(Cl)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 4/20 0.49
KLK1 P06870 2/20 0.49
MCHR1 Q99705 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
MAPT P10636 4/20 0.38
TP53 P04637 1/20 0.38
GFER P55789 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
USP30 Q70CQ3 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
HSD17B13 Q7Z5P4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
WDR5 P61964 1/20 0.36
GUSB P08236 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL2213974 0.88 KLKB1 (0.59) KLKB1KLK1LIPGMAPTTP53
SCHEMBL2398527 0.88 KLKB1 (0.49) KLKB1KLK1MAPTTP53USP30
SCHEMBL2249114 0.86 HDAC3 (0.41) KLKB1MAPTTP53HSD17B13SMN1; SMN2
SCHEMBL2400518 0.85 KLKB1 (0.49) KLKB1KLK1LIPGMAPTTP53
SCHEMBL2397861 0.85 KLKB1 (0.49) KLKB1KLK1LIPGMAPTTP53
SCHEMBL2220555 0.81 KLKB1 (0.46) KLKB1KLK1LIPGMAPTTP53
SCHEMBL2398104 0.81 KLKB1 (0.46) KLKB1KLK1LIPGMAPTTP53
SCHEMBL2398518 0.81 KLKB1 (0.46) KLKB1KLK1LIPG
SCHEMBL2397916 0.81 HSD17B13 (0.47) KLKB1KLK1HSD17B13SMN1; SMN2LMNA
SCHEMBL2398166 0.81 KLKB1 (0.44) KLKB1KLK1LIPG

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 1664/4885MCHR1 3318/4885
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES CFTR, PKD1, PKD2 KLKB1 1321/4885KLK1 1339/4885MCHR1 4200/4885

“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.