SCHEMBL2549136

SCHEMBL2549136

CCOC(OCC)C(=N)NCc1cc(Br)ccc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.36
RAB9A P51151 4/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
SETDB1 Q15047 1/20 0.35
MAPT P10636 4/20 0.34
ALDH1A1 P00352 4/20 0.34
GAA P10253 2/20 0.34
TP53 P04637 2/20 0.34
NPC1 O15118 3/20 0.32
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 2/20 0.32
HTT P42858 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
HPGD P15428 1/20 0.32
USP2 O75604 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL2552204 0.89 PYCR1 (0.34) LMNARAB9AKMT2ASMN1; SMN2SETDB1
SCHEMBL2552891 0.85 HTR2A (0.38) LMNARAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL2551454 0.84 LMNA (0.51) LMNAKMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL2554374 0.82 TSHR (0.39) LMNAKMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL23649659 0.80 LMNA (0.50) LMNAKMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL21860264 0.78
SCHEMBL558231 0.78 MEN1 (0.42) LMNARAB9AKMT2AMAPTALDH1A1
SCHEMBL31248715 0.78 LMNA (0.36) LMNAKMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL31426110 0.78 EPHX2 (0.33) RAB9AKMT2ASMN1; SMN2SETDB1MAPT
SCHEMBL558857 0.76 LMNA (0.46) LMNAKMT2ASMN1; SMN2MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552893-B1 ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-10-29 EP disclosed
US-20130096119-A1 Isoquinolin-3-Ylurea Derivatives BUR DANIEL (CH) 2013-04-18 US disclosed
EP-2552893-A1 ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2013-02-06 EP disclosed
WO-2011121555-A1 ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-06 WO 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-20130096119-A1 Isoquinolin-3-Ylurea Derivatives CLIC1, IRF3, KCNH3 LMNA 1295/4885RAB9A 2164/4885KMT2A 2761/4885

“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.