SCHEMBL3963966

SCHEMBL3963966

O=C(Cn1c(C(=O)O)cc2ccccc21)Nc1ccc(Cl)cn1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.62
F2 P00734 1/20 0.62
CCR2 P41597 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 2/20 0.53
RAB9A P51151 4/20 0.52
LMNA P02545 3/20 0.52
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47

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
SCHEMBL3963940 0.90 F10 (0.52) F10F2CCR2SMN1; SMN2ALDH1A1
SCHEMBL3968297 0.86 CCR2 (0.50) F10F2CCR2SMN1; SMN2ALDH1A1
SCHEMBL3963757 0.83 CCR2 (0.64) F10F2CCR2POLB
SCHEMBL3962359 0.82 CCR2 (0.53) F10F2CCR2SMN1; SMN2ALDH1A1
SCHEMBL3367236 0.80 F10 (0.61) F10SMN1; SMN2ALDH1A1RAB9ALMNA
SCHEMBL4879163 0.79 F10 (0.58) F10F2SMN1; SMN2ALDH1A1RAB9A
SCHEMBL3962974 0.79 TDP1 (0.45) F10F2SMN1; SMN2ALDH1A1RAB9A
SCHEMBL3966177 0.79 RXFP1 (0.60) F10F2CCR2ALDH1A1RAB9A
SCHEMBL5618711 0.79 F10 (0.47) F10F2CCR2SMN1; SMN2ALDH1A1
SCHEMBL4879621 0.78 F10 (0.69) F10F2SMN1; SMN2ALDH1A1RAB9A

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 13 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 claimed
US-6906084-B2 Indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-14 US claimed
JP-2005514365-A 2005-05-19 JP claimed
EP-1451185-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2004-09-01 EP claimed
US-20030199689-A1 New indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-23 US claimed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 WO claimed
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

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 F10 10/4885F2 3/4885CCR2 1071/4885
US-20030199689-A1 New indole derivatives as factor Xa inhibitors F5, F12, F2 F10 9/4885F2 3/4885CCR2 851/4885
US-20050043302-A1 New indole derivatives as factor Xa inhibitors F12, F5, F2 F10 8/4885F2 3/4885CCR2 1193/4885

“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.