SCHEMBL3968965

SCHEMBL3968965

COC(=O)c1cc2ccccc2n1-c1ccc(OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
TSHR P16473 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
MAPK1 P28482 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
F10 P00742 1/20 0.47
CYP19A1 P11511 1/20 0.46
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
AHR P35869 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 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
SCHEMBL15466939 0.88 ALDH1A1 (0.69) ALDH1A1TSHRL3MBTL1MAPTHPGD
SCHEMBL3963208 0.87 ALDH1A1 (0.72) ALDH1A1TSHRL3MBTL1MAPTHPGD
SCHEMBL28411672 0.86 ALDH1A1 (0.54) ALDH1A1TSHRMAPK1MAPTHPGD
SCHEMBL28414606 0.82 ALDH1A1 (0.51) ALDH1A1TSHRL3MBTL1MAPTF10
SCHEMBL29834867 0.77 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1MAPTHSD17B10
SCHEMBL8354679 0.77 NPC1 (0.48) ALDH1A1L3MBTL1MAPTHPGDSMN1; SMN2
SCHEMBL10767782 0.76 NOD1 (0.62) ALDH1A1L3MBTL1MAPTSMN1; SMN2HTT
SCHEMBL27946328 0.76 KIF11 (0.54) ALDH1A1TSHRMAPK1MAPTHPGD
SCHEMBL75134 0.76 CYP19A1 (0.52) ALDH1A1L3MBTL1MAPTHPGDSMN1; SMN2
SCHEMBL6408242 0.76 KDM4E (0.65) ALDH1A1TSHRL3MBTL1MAPTHPGD

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
EP-1451185-B1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2014-08-06 EP disclosed
US-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-03-12 US disclosed
US-6906084-B2 Indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-14 US disclosed
US-20050043302-A1 New indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-24 US disclosed
EP-1451185-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2004-09-01 EP disclosed
US-20030199689-A1 New indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-23 US disclosed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 WO disclosed
EP-1314733-A1 Indole-2-carboxamides as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2003-05-28 EP 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 (3 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-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS F12, F5, F2 ALDH1A1 2106/4885TSHR 232/4885L3MBTL1 2186/4885
US-20030199689-A1 New indole derivatives as factor Xa inhibitors F5, F12, F2 ALDH1A1 1886/4885TSHR 484/4885L3MBTL1 2623/4885
US-20050043302-A1 New indole derivatives as factor Xa inhibitors F12, F5, F2 ALDH1A1 1808/4885TSHR 244/4885L3MBTL1 1279/4885

“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.