SCHEMBL8354980

SCHEMBL8354980

COc1ccc(-n2c(C(=O)NCC3CC(c4ccncc4)=NO3)cc3ccccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.48
MIF P14174 5/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
F10 P00742 1/20 0.45
TSHR P16473 2/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL13900112 0.89 F10 (0.46) RAB9ASMN1; SMN2NPC1F10HPGD
SCHEMBL8358870 0.83 F10 (0.51) RAB9ASMN1; SMN2NPC1L3MBTL1F10
SCHEMBL8358922 0.80 F10 (0.41) RAB9ASMN1; SMN2NPC1L3MBTL1F10
SCHEMBL3963173 0.78 CLK1 (0.55) RAB9ANPC1HPGDALDH1A1
SCHEMBL8354384 0.78 F10 (0.55) SMN1; SMN2F10HPGDPOLBALDH1A1
SCHEMBL13900119 0.77 CCR2 (0.48) F10HPGDALDH1A1MAPTMEN1
SCHEMBL8357797 0.74 F10 (0.54) F10TSHRHPGDPOLBALDH1A1
SCHEMBL13900045 0.71 F10 (0.63) F10HPGDPOLBALDH1A1MAPT
SCHEMBL1674998 0.71 F10 (0.61) SMN1; SMN2F10ALDH1A1MAPT
SCHEMBL1675306 0.70 F10 (0.68) F10

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 4 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-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-03-12 US disclosed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 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 (1 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 RAB9A 773/4885SMN1; SMN2 4130/4885NPC1 3769/4885

“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.