SCHEMBL1431007

SCHEMBL1431007

CCOC(=O)c1cn(CC2CCN(CCN3CCOCC3)C2)c2ccc(I)cc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HSD17B10 Q99714 1/20 0.49
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
LMNA P02545 2/20 0.45
CNR2 P34972 8/20 0.41
CNR1 P21554 4/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL1431957 0.90 HPGD (0.54) HPGDKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL13080489 0.90 HPGD (0.54) HPGDKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL1553117 0.88 HPGD (0.56) HPGDKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL3004101 0.87 LMNA (0.52) HPGDKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL2994113 0.86 HPGD (0.46) HPGDKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL1430478 0.86 HPGD (0.44) HPGDKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL3003778 0.85 HPGD (0.54) HPGDKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL13080492 0.84 HPGD (0.50) HPGDKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL13008004 0.84 HPGD (0.49) HPGDKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL13008003 0.84 HPGD (0.49) HPGDKDM4EALDH1A1HSD17B10KMT2A

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-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
EP-2300463-A1 HETEROCYCLIC UREA DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS AstraZeneca AB (SE) 2011-03-30 EP 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
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 137/4885KDM4E 2874/4885ALDH1A1 1122/4885

“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.