SCHEMBL1430973

SCHEMBL1430973

CN(C)/C=C(/C(=O)O)C(=O)c1cccc(I)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.38
POLB P06746 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
GRM5 P41594 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 3/20 0.36
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
RECQL P46063 2/20 0.36
LMNA P02545 2/20 0.35
TP53BP1 Q12888 1/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34

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
SCHEMBL1429806 1.00 MTOR (0.38) MTORPOLBHDAC1HDAC2GRM5
SCHEMBL4291901 0.82 RAB9A (0.48) HPGDRECQLLMNAMAPTALDH1A1
SCHEMBL4291907 0.82 RAB9A (0.48) HPGDRECQLLMNAMAPTALDH1A1
SCHEMBL1430283 0.81 MEN1 (0.41) POLBHDAC1HDAC2NPSR1HPGD
SCHEMBL1430284 0.81 MEN1 (0.41) POLBHDAC1HDAC2NPSR1HPGD
SCHEMBL2998435 0.81 MEN1 (0.41) POLBHDAC1HDAC2NPSR1HPGD
SCHEMBL29875488 0.76 MTOR (0.44) MTORHDAC1HDAC2GRM5TP53BP1
SCHEMBL3559979 0.75 CES2 (0.52) HPGDRECQLLMNAMAPTALDH1A1
SCHEMBL18079795 0.74 CES2 (0.54) MTORHDAC1HDAC2GRM5TP53BP1
SCHEMBL1429996 0.74 CES2 (0.38) CYP11B1CYP11B2ALDH1A1

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
EP-2300463-A1 HETEROCYCLIC UREA DERIVATIVES FOR THE TREATMENT OF BACTERIAL INFECTIONS AstraZeneca AB (SE) 2011-03-30 EP disclosed
US-20100317624-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-12-16 US disclosed
WO-2010142978-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-12-16 WO 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 (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-20100317624-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF UROD, UMPS, SLC14A1 MTOR 695/4885POLB 863/4885HDAC1 1234/4885
US-20100190745-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF UROD, UMPS, SLC14A1 MTOR 708/4885POLB 831/4885HDAC1 1346/4885

“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.