SCHEMBL2400518

SCHEMBL2400518

CN(C)c1cccc(Oc2ccc(CNC(=O)c3ncn(-c4cc(Cl)c(O)c(Cl)c4)n3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.49
KLK1 P06870 1/20 0.49
LIPG Q9Y5X9 2/20 0.39
NOTUM Q6P988 1/20 0.38
FFAR1 O14842 1/20 0.37
NOD1 Q9Y239 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 5/20 0.36
MAPK14 Q16539 1/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.36
ADAMTS5 Q9UNA0 2/20 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
SCHEMBL2398104 0.92 KLKB1 (0.46) KLKB1KLK1LIPGNOTUMSMN1; SMN2
SCHEMBL2213974 0.88 KLKB1 (0.59) KLKB1KLK1LIPGSMN1; SMN2LMNA
SCHEMBL2396012 0.88 SMN1; SMN2 (0.41) NOTUMSMN1; SMN2KDM4ELMNAMAPT
SCHEMBL2397639 0.85 KLKB1 (0.49) KLKB1KLK1LIPGSMN1; SMN2LMNA
SCHEMBL2397861 0.85 KLKB1 (0.49) KLKB1KLK1LIPGNOTUMSMN1; SMN2
SCHEMBL2398518 0.83 KLKB1 (0.46) KLKB1KLK1LIPGNOTUMMAPK14
SCHEMBL2220555 0.81 KLKB1 (0.46) KLKB1KLK1LIPGNOTUMSMN1; SMN2
SCHEMBL2397916 0.81 HSD17B13 (0.47) KLKB1KLK1NOTUMSMN1; SMN2KDM4E
SCHEMBL2398166 0.81 KLKB1 (0.44) KLKB1KLK1LIPGNOTUMMAPK14
SCHEMBL2396941 0.81 KLKB1 (0.51) KLKB1KLK1LIPGSMN1; SMN2LMNA

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 1664/4885LIPG 2009/4885
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES CFTR, PKD1, PKD2 KLKB1 1321/4885KLK1 1339/4885LIPG 2775/4885

“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.