SCHEMBL6153415

SCHEMBL6153415

COc1cc(NC2CCC(NC3CCCC3)CC2)c(Cl)cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PGR P06401 1/20 0.39
AR P10275 2/20 0.38
HTR2A P28223 1/20 0.38
PDE5A O76074 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 2/20 0.37
ABL1 P00519 3/20 0.36
SRC P12931 3/20 0.36
ABL2 P42684 2/20 0.36
BCR P11274 1/20 0.36
MAPK1 P28482 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
SCHEMBL6153414 1.00 NSD2 (0.40) NSD2MEN1KMT2AL3MBTL1PGR
SCHEMBL6153630 0.86 PGR (0.38) NSD2MEN1KMT2AL3MBTL1PGR
SCHEMBL6153624 0.86 PGR (0.38) NSD2MEN1KMT2AL3MBTL1PGR
SCHEMBL6153758 0.86 CDK7 (0.41) PGRARHTR2APDE5AALDH1A1
SCHEMBL6153762 0.86 CDK7 (0.41) PGRARHTR2APDE5AALDH1A1
SCHEMBL6155718 0.84 MELK (0.48) PGRARALDH1A1HTTABL1
SCHEMBL6155712 0.84 MELK (0.48) PGRARALDH1A1HTTABL1
SCHEMBL6153335 0.83 NSD2 (0.43) NSD2PGRABL1SRCABL2
SCHEMBL6153336 0.83 NSD2 (0.43) NSD2PGRABL1SRCABL2
SCHEMBL6154445 0.82 DRD2 (0.38) PGRARHTR2APDE5AALDH1A1

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-20050182040-A1 Benzamide derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-18 US disclosed
EP-1500643-A1 BENZAMIDE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-01-26 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 (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-20050182040-A1 Benzamide derivatives ROCK1, ROCK2, NHERF1 NSD2 2185/4885MEN1 1993/4885KMT2A 1307/4885

“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.