SCHEMBL2398093

SCHEMBL2398093

O=C(NCc1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)c1ncn(-c2cc(Cl)c(O)c(Cl)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.45
KLK1 P06870 1/20 0.45
MAPK14 Q16539 2/20 0.43
TLR8 Q9NR97 4/20 0.39
TLR7 Q9NYK1 2/20 0.39
P2RX1 P51575 1/20 0.38
TMPRSS4 Q9NRS4 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
NOTUM Q6P988 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B13 Q7Z5P4 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
WDR5 P61964 1/20 0.37

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
SCHEMBL12262951 0.94 KLKB1 (0.42) KLKB1KLK1MAPK14CNR1CNR2
SCHEMBL2397916 0.89 HSD17B13 (0.47) KLKB1KLK1MAPK14NOTUMLMNA
SCHEMBL2398166 0.89 KLKB1 (0.44) KLKB1KLK1MAPK14NOTUMMEN1
SCHEMBL2220555 0.87 KLKB1 (0.46) KLKB1KLK1MAPK14NOTUMLIPG
SCHEMBL2398518 0.87 KLKB1 (0.46) KLKB1KLK1MAPK14NOTUMMEN1
SCHEMBL2214888 0.87 KLKB1 (0.43) KLKB1KLK1MAPK14NOTUMHSD17B13
SCHEMBL2397861 0.87 KLKB1 (0.49) KLKB1KLK1MAPK14NOTUMHSD17B13
SCHEMBL2213974 0.87 KLKB1 (0.59) KLKB1KLK1MAPK14LMNALIPG
SCHEMBL2398104 0.84 KLKB1 (0.46) KLKB1KLK1MAPK14NOTUMLMNA
SCHEMBL2398571 0.82 P2RX1 (0.41) P2RX1TMPRSS4NOTUMLMNAWDR5

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 5 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-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 1664/4885MAPK14 3946/4885
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES CFTR, PKD1, PKD2 KLKB1 1321/4885KLK1 1339/4885MAPK14 3459/4885

“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.