SCHEMBL3003159

SCHEMBL3003159

COCC(COC)n1cc(C(=O)O)c(=O)c2cc(I)ccc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
PTPN1 P18031 1/20 0.42
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
APEX1 P27695 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
METTL3 Q86U44 1/20 0.38
LMNA P02545 5/20 0.38
HTT P42858 1/20 0.38
CHRM1 P11229 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
DNMT1 P26358 1/20 0.35

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
SCHEMBL27813249 0.90 METTL3 (0.44) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL2997992 0.86 LMNA (0.48) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL4158355 0.83 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL1431317 0.83 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL3003212 0.83 SMN1; SMN2 (0.38) ALDH1A1LMNA
SCHEMBL4154022 0.82 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL3008256 0.81 PTPN1 (0.39) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL2990529 0.81 METTL3 (0.50) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL13242400 0.81 LMNA (0.45) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL3004233 0.81 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10TSHR

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 KDM4E 2874/4885ALDH1A1 1122/4885HPGD 137/4885

“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.