SCHEMBL5405723

SCHEMBL5405723

Cc1cc(C)c2c(c1)NCCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.42
UGT2B17 O75795 2/20 0.38
NUDT1 P36639 4/20 0.36
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
FKBP5 Q13451 1/20 0.32
CRBN Q96SW2 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL5993417 0.94 UHRF1 (0.47) UHRF1UGT2B17NUDT1ALDH1A1GAA
SCHEMBL1761215 0.88 UGT2B17 (0.36) UHRF1UGT2B17NUDT1ALDH1A1GAA
SCHEMBL22312385 0.77 UHRF1 (0.40) UHRF1NUDT1ALDH1A1GAAHSD17B10
SCHEMBL1686017 0.77 UHRF1 (0.40) UHRF1NUDT1ALDH1A1GAAHSD17B10
SCHEMBL22435470 0.74 ALDH1A1 (0.38) UHRF1NUDT1ALDH1A1GAAHSD17B10
SCHEMBL24297724 0.73 NUDT1 (0.43) UHRF1NUDT1ALDH1A1ATMNOS3
SCHEMBL31170775 0.72 PARP1 (0.44) UHRF1NUDT1ALDH1A1MAPTHTR1D
SCHEMBL6221804 0.72 PARP1 (0.44) UHRF1NUDT1ALDH1A1MAPTHTR1D
SCHEMBL5467021 0.71 MAPT (0.49) ALDH1A1GAAHSD17B10MAPTATM
SCHEMBL20939380 0.69 NOTUM (0.42) UHRF1NUDT1ALDH1A1GAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169773-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-01-30 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
EP-1657238-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-17 EP disclosed
US-20060003991-A1 Compounds SZEWCZYK JERZY R 2006-01-05 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-20070010537-A1 Fused pyramidine derivative and use thereof NR5A1, GNRHR, RXFP3 UHRF1 2935/4885UGT2B17 1631/4885NUDT1 504/4885
US-20060003991-A1 Compounds SLC10A1, SLC10A2, ABCB11 UHRF1 4553/4885UGT2B17 26/4885NUDT1 2694/4885

“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.