SCHEMBL3767466

SCHEMBL3767466

CN(C)CCn1cc(C(=O)O)c(=O)c2cc(I)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TSHR P16473 1/20 0.49
RAB9A P51151 1/20 0.49
PTPN1 P18031 1/20 0.47
CNR2 P34972 3/20 0.46
CNR1 P21554 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
APEX1 P27695 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTR6 P50406 2/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39

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
SCHEMBL3722612 0.89 CNR2 (0.46) KDM4ELMNAHTTALDH1A1HPGD
SCHEMBL13008006 0.86 LMNA (0.52) KDM4ELMNAHTTALDH1A1HPGD
SCHEMBL4157847 0.86 KDM4E (0.55) KDM4ELMNAHTTALDH1A1HPGD
SCHEMBL2991257 0.85 LMNA (0.56) KDM4ELMNAHTTALDH1A1HPGD
SCHEMBL27789854 0.84 CNR2 (0.59) KDM4ELMNAHTTALDH1A1HPGD
SCHEMBL3006540 0.83 KDM4E (0.68) KDM4ELMNAHTTALDH1A1HPGD
SCHEMBL4154426 0.83 KDM4E (0.55) KDM4ELMNAHTTALDH1A1HPGD
SCHEMBL3816590 0.81 PTPN1 (0.49) KDM4ELMNAHTTALDH1A1HPGD
SCHEMBL3719029 0.81 ALDH1A1 (0.49) KDM4ELMNAHTTALDH1A1HPGD
SCHEMBL13008008 0.80 ALDH1A1 (0.51) KDM4ELMNAHTTALDH1A1HPGD

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-20100317624-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-12-16 US 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-20090170791-A1 MACROLONES GLAXO SMITH KLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O A CORPORATION 2009-07-02 US disclosed
US-20090170791-A1 MACROLONES GLAXO SMITH KLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O A CORPORATION 2009-07-02 US disclosed
US-20090170791-A1 MACROLONES GLAXO SMITH KLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O A CORPORATION 2009-07-02 US disclosed
EP-1945652-A1 MACROLONES GLAXO GROUP LIMITED (GB) 2008-07-23 EP disclosed
WO-2007054296-A1 MACROLONES GLAXO GROUP LIMITED (GB) 2007-05-18 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 KDM4E 2695/4885LMNA 2498/4885HTT 2812/4885
US-20090170791-A1 MACROLONES CYP51A1, MRPL21, LSS KDM4E 4180/4885LMNA 1071/4885HTT 2622/4885

“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.