SCHEMBL3095401

SCHEMBL3095401

O=Cc1ccn(-c2ccc(I)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
ALDH1A1 P00352 7/20 0.33
KDM4E B2RXH2 4/20 0.33
MAPK1 P28482 1/20 0.33
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
ABL1 P00519 2/20 0.33
SRC P12931 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
COMT P21964 1/20 0.31
KCNJ1 P48048 1/20 0.31

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
SCHEMBL7016863 0.81 CYP2A6 (0.50) MGLLGRIA1GRIA2GRIA3GRIA4
SCHEMBL9309316 0.81 HSD17B10 (0.50) MGLLGRIA1GRIA2GRIA3GRIA4
SCHEMBL5126021 0.81 FAAH (0.39) FAAHMGLLGRIA1GRIA2GRIA3
SCHEMBL6052596 0.81 MGLL (0.39) MGLLGRIA1GRIA2GRIA3GRIA4
SCHEMBL1680730 0.80 COMT (0.48) MGLLGRIA1GRIA2GRIA3GRIA4
SCHEMBL6630210 0.78 MEN1 (0.43) FAAHMGLLGRIA1GRIA2GRIA3
SCHEMBL14395511 0.77 BCHE (0.39) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL5116483 0.77 ALDH1A1 (0.55) MGLLALDH1A1KDM4E
SCHEMBL4118733 0.77 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4
SCHEMBL5129468 0.77 HDAC2 (0.37) GRIA1GRIA2GRIA3GRIA4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234352-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-7696352-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-13 US disclosed
EP-2114928-A2 THIOPHENE CARBOXAMIDES AS FACTOR XA INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2009-11-11 EP disclosed
WO-2008086188-A2 THIOPHENE CARBOXAMIDES AS FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-17 WO disclosed
US-20070185092-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-09 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 (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-20070185092-A1 FACTOR Xa INHIBITORS TFPI, F12, F11 FAAH 498/4885MGLL 1572/4885GRIA1 2824/4885
US-20100234352-A1 FACTOR XA INHIBITORS TFPI, F12, F11 FAAH 498/4885MGLL 1572/4885GRIA1 2824/4885

“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.