SCHEMBL1698943

SCHEMBL1698943

Cc1nc(CO)cn1-c1ccc(I)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.42
NOTUM Q6P988 8/20 0.39
TGFBR1 P36897 1/20 0.36
GPR52 Q9Y2T5 1/20 0.34
P2RX7 Q99572 1/20 0.33
COMT P21964 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 2/20 0.32
PPARA Q07869 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL2171789 0.83 GRM5 (0.43) PTGS2NOTUMTGFBR1GPR52
SCHEMBL1277760 0.80 NPC1 (0.38) PTGS2NOTUMTGFBR1P2RX7MAPT
SCHEMBL13944103 0.76 KDM4E (0.41) GPR52KDM4EALDH1A1
SCHEMBL1708964 0.71 HPGD (0.48) KDM4E
SCHEMBL4972851 0.70 GPR52 (0.36) PTGS2TGFBR1GPR52
SCHEMBL23212166 0.70 NOTUM (0.49) PTGS2NOTUMTGFBR1P2RX7COMT
SCHEMBL3095507 0.70 PTGS2 (0.39) PTGS2NOTUMKDM4EALDH1A1
SCHEMBL1699007 0.70 PTGS2 (0.43) PTGS2P2RX7ALDH1A1
SCHEMBL859562 0.66
SCHEMBL14445097 0.66 PTGS2 (0.44) PTGS2KDM4EPOLBL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349873-B2 Factor XA inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-01-08 US disclosed
US-8349873-B2 Factor XA inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-01-08 US disclosed
US-20120088795-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-04-12 US disclosed
US-20120088795-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-04-12 US disclosed
US-8063077-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-8063077-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-20110118244-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-19 US disclosed
US-20110118244-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-19 US disclosed
US-20100249117-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-30 US disclosed
US-20100249117-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-30 US disclosed
US-7767697-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
US-7767697-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
US-7763608-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-07-27 US disclosed
US-7763608-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-07-27 US disclosed
US-20090030045-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-01-29 US disclosed
US-20090030045-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-01-29 US disclosed
WO-2007131179-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-11-15 WO disclosed
US-20070259924-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2007-11-08 US disclosed
US-20070259924-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2007-11-08 US 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 (5 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-20090030045-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PTGS2 769/4885NOTUM 272/4885TGFBR1 1440/4885
US-20110118244-A2 FACTOR XA INHIBITORS TFPI, F12, F11 PTGS2 769/4885NOTUM 272/4885TGFBR1 1440/4885
US-20100249117-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PTGS2 769/4885NOTUM 272/4885TGFBR1 1440/4885
US-20070259924-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PTGS2 769/4885NOTUM 272/4885TGFBR1 1440/4885
US-20120088795-A1 FACTOR XA INHIBITORS TFPI, F12, F11 PTGS2 769/4885NOTUM 272/4885TGFBR1 1440/4885

“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.