SCHEMBL1552946

SCHEMBL1552946

CCCCn1cc(C(=O)OCC)c(=O)c2cc(I)ccc21

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
CNR2 P34972 9/20 0.56
CNR1 P21554 4/20 0.56
KMT2A Q03164 2/20 0.50
HPGD P15428 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
PTPN1 P18031 1/20 0.47
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL5245640 0.97 CNR2 (0.60) LMNACNR2CNR1KMT2AHPGD
SCHEMBL4141591 0.93 LMNA (0.61) LMNACNR2CNR1KMT2AHPGD
SCHEMBL3006908 0.92 LMNA (0.57) LMNACNR2CNR1KMT2AHPGD
SCHEMBL2989308 0.90 LMNA (0.55) LMNACNR2CNR1KMT2AHPGD
SCHEMBL3004121 0.90 LMNA (0.60) LMNACNR2CNR1KMT2AHPGD
SCHEMBL13048082 0.89 LMNA (0.58) LMNACNR2CNR1KMT2AHPGD
SCHEMBL1429954 0.88 LMNA (0.74) LMNACNR2CNR1KMT2AHPGD
SCHEMBL1431209 0.88 LMNA (0.57) LMNACNR2CNR1KMT2AHPGD
SCHEMBL2991257 0.87 LMNA (0.56) LMNACNR2CNR1KMT2AHPGD
SCHEMBL27789854 0.86 CNR2 (0.59) LMNACNR2CNR1HPGDPTPN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2102199-B1 ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS ASTRAZENECA AB (SE) 2011-04-27 EP disclosed
US-7674801-B2 Alkyl urea substituted pyridines ASTRAZENECA AB (SE) 2010-03-09 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
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
US-20080132546-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-05 US disclosed
WO-2007054296-A1 MACROLONES GLAXO GROUP LIMITED (GB) 2007-05-18 WO disclosed
CN-1161336-C Quinoline carboxamides as antiviral agents �������Ŷ���Լ��������˾ 2004-08-11 CN disclosed
CN-1333753-A Quinoline carboxamides as antiviral agents UPJOHN CO (US) 2002-01-30 CN 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-20080132546-A1 CHEMICAL COMPOUNDS MRPL21, NISCH, ABCB11 LMNA 3493/4885CNR2 1812/4885CNR1 1457/4885
US-20090170791-A1 MACROLONES CYP51A1, MRPL21, LSS LMNA 1071/4885CNR2 4651/4885CNR1 4362/4885

“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.