SCHEMBL15380429

SCHEMBL15380429

CN1CCCCC1CNC(=O)c1ccc2c(c1)nc(Nc1cc(CNC3(C)CCCCC3)ccc1Cl)n2C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.45
MALT1 Q9UDY8 1/20 0.39
JAK1 P23458 1/20 0.38
TP53 P04637 8/20 0.38
HDAC6 Q9UBN7 1/20 0.38
LMNA P02545 2/20 0.37
YEATS4 O95619 1/20 0.37
KCNH2 Q12809 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
CCR3 P51677 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
SCHEMBL11894984 0.93 PTGES (0.47) PTGESMALT1JAK1TP53HDAC6
SCHEMBL15380924 0.88 HDAC6 (0.42) PTGESTP53HDAC6LMNAPOLB
SCHEMBL15380913 0.87 KMT2A (0.46) PTGES
SCHEMBL3094243 0.86 IDH1 (0.44) PTGES
SCHEMBL3100803 0.84 PTGES (0.54) PTGESHDAC6KCNH2CCR3
SCHEMBL3109449 0.84 PTGES (0.54) PTGESHDAC6KCNH2CCR3
SCHEMBL3111197 0.83 PTGES (0.54) PTGESHDAC6KCNH2CCR3
SCHEMBL3106626 0.81 PTGES (0.52) PTGESTP53HDAC6LMNAKCNH2
SCHEMBL3101879 0.81 PTGES (0.47) PTGESPOLB
SCHEMBL3099237 0.80 PTGES (0.46) PTGESTP53POLBMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 US disclosed
US-20130303571-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 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 (1 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-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX PTGES 307/4885MALT1 1129/4885JAK1 823/4885

“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.