SCHEMBL3374705

SCHEMBL3374705

CCOC(=O)c1cc(Br)cn(CC)c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 6/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
GLA P06280 1/20 0.45
BAZ2B Q9UIF8 1/20 0.44
BAZ2A Q9UIF9 1/20 0.44
CYP1A2 P05177 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRB2 P47870 1/20 0.42
MAPT P10636 3/20 0.42

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
SCHEMBL3451528 0.87 BAZ2B (0.48) LMNAKDM4EALDH1A1GAAHPGD
SCHEMBL19768920 0.86 BRD4 (0.55) LMNAKDM4EALDH1A1CYP1A2MAPT
SCHEMBL3448265 0.85 BAZ2B (0.46) LMNAKDM4EALDH1A1GAAHPGD
SCHEMBL26783224 0.83 TSHR (0.51) LMNAKDM4EALDH1A1HPGDNPSR1
SCHEMBL19768916 0.81 CNR1 (0.43) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL16549877 0.80 LMNA (0.52) LMNAKDM4EALDH1A1NPSR1BAZ2B
SCHEMBL3350739 0.79 LMNA (0.44) LMNAKDM4EALDH1A1GAAHPGD
SCHEMBL13310640 0.77 CNR1 (0.43) LMNAKDM4EALDH1A1GAAHPGD
SCHEMBL3371322 0.73 LMNA (0.40) LMNAKDM4EALDH1A1GAAHPGD
SCHEMBL13348361 0.73 LMNA (0.40) LMNAKDM4EALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO disclosed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 US disclosed
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD LMNA 1717/4885KDM4E 3882/4885ALDH1A1 530/4885
US-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 LMNA 3232/4885KDM4E 1461/4885ALDH1A1 3712/4885

“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.