SCHEMBL4868290

SCHEMBL4868290

COc1cccc(C2(C#N)CCN(c3ncccc3OC)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.62
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
DRD2 P14416 2/20 0.40
NPC1 O15118 1/20 0.40
SLC2A1 P11166 1/20 0.40
SLC2A2 P11168 1/20 0.40
SLC2A3 P11169 1/20 0.40
AOC3 Q16853 1/20 0.39
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
OPRD1 P41143 1/20 0.38
KCNH2 Q12809 1/20 0.38
OPRM1 P35372 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38

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
SCHEMBL5475902 0.88 KMT2A (0.53) KMT2AALDH1A1DRD2AOC3HTR1A
SCHEMBL4881609 0.85 KMT2A (0.69) KMT2AALDH1A1MAPTDRD2NPC1
SCHEMBL4870906 0.82 KMT2A (0.67) KMT2AMAPTDRD2NPC1HTR1A
SCHEMBL5471084 0.80 KMT2A (0.67) KMT2AALDH1A1MAPTNPC1OPRM1
SCHEMBL4880943 0.80 MALT1 (0.45) KMT2AALDH1A1MALT1OPRD1KCNH2
SCHEMBL4876766 0.80 KMT2A (0.46) KMT2AALDH1A1MALT1OPRD1KCNH2
SCHEMBL5473494 0.79 KMT2A (0.63) KMT2AALDH1A1MAPTNPC1
SCHEMBL5475695 0.78 KMT2A (0.62) KMT2AALDH1A1MAPTNPC1SLC2A1
SCHEMBL4880432 0.78 KMT2A (0.62) KMT2AMAPTDRD2NPC1HTR1A
SCHEMBL4876711 0.78 KMT2A (0.72) KMT2AALDH1A1MAPTNPC1OPRD1

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
US-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
US-20070078120-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-05 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP disclosed
EP-1679069-A1 NOVEL PIPERIDINE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-07-12 EP 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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 KMT2A 1132/4885ALDH1A1 2899/4885MAPT 4852/4885
US-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 KMT2A 1301/4885ALDH1A1 2990/4885MAPT 4793/4885

“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.