SCHEMBL2995832

SCHEMBL2995832

CCOC(=O)c1cn(C2CCOCC2)c2ccc(I)cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
GAPDH P04406 1/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
ADRB2 P07550 1/20 0.41
HTR3A P46098 5/20 0.40
POLB P06746 1/20 0.40
PTPN1 P18031 1/20 0.39
NPC1 O15118 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
SCHEMBL3004100 0.93 LMNA (0.50) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL3005757 0.90 KDM4E (0.48) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL2995842 0.88 HPGD (0.46) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL3004714 0.88 LMNA (0.47) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL13080528 0.84 HPGD (0.45) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL13080488 0.84 HPGD (0.45) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL3004101 0.84 LMNA (0.52) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL13080525 0.84 LMNA (0.44) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL13080496 0.84 LMNA (0.44) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL7846034 0.84 ALDH1A1 (0.47) HPGDALDH1A1KDM4EHSD17B10LMNA

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-8283361-B2 Heterocyclic urea derivatives and methods of use thereof ASTRAZENECA AB (SE) 2012-10-09 US disclosed
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
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 HPGD 137/4885ALDH1A1 1122/4885KDM4E 2874/4885

“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.