SCHEMBL13080447

SCHEMBL13080447

CCOC(=O)c1cn([C@H](CO)Cc2ccccc2)c2ccc(I)cc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.44
LMNA P02545 2/20 0.44
P2RX3 P56373 1/20 0.42
TSHR P16473 3/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRB2 P47870 1/20 0.40
PIM1 P11309 1/20 0.39
IRAK1 P51617 1/20 0.39
CAMK2B Q13554 1/20 0.39
CAMK2G Q13555 1/20 0.39
CAMK2D Q13557 1/20 0.39
PIM3 Q86V86 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAP2K2 P36507 1/20 0.38
MAP2K1 Q02750 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.37

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
SCHEMBL13080468 0.91 LMNA (0.43) PTPN1LMNAP2RX3GABRA1GABRB2
SCHEMBL3005361 0.90 LMNA (0.50) PTPN1LMNATSHRGABRA1GABRA3
SCHEMBL13007930 0.88 LMNA (0.48) PTPN1LMNATSHRGABRA1GABRA3
SCHEMBL13007928 0.88 LMNA (0.48) PTPN1LMNATSHRGABRA1GABRA3
SCHEMBL2992856 0.88 LMNA (0.48) PTPN1LMNATSHRGABRA1GABRA3
SCHEMBL2994107 0.87 PTPN1 (0.42) PTPN1LMNATSHRALDH1A1HPGD
SCHEMBL13007929 0.86 LMNA (0.47) PTPN1LMNATSHRGABRA1GABRA3
SCHEMBL13080449 0.86 LMNA (0.47) PTPN1LMNATSHRGABRA1GABRA3
SCHEMBL2994052 0.83 LMNA (0.49) PTPN1LMNATSHRGABRA1GABRA3
SCHEMBL13080446 0.83 LMNA (0.49) PTPN1LMNATSHRGABRA1GABRA3

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-8283361-B2 Heterocyclic urea derivatives and methods of use thereof ASTRAZENECA AB (SE) 2012-10-09 US disclosed
US-20100190745-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-07-29 US disclosed
US-20100190745-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-07-29 US disclosed
WO-2009147433-A1 HETEROCYCLIC UREA DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2009-12-10 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-20100190745-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF UROD, UMPS, SLC14A1 PTPN1 4049/4885LMNA 2705/4885P2RX3 1502/4885

“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.