SCHEMBL8358657

SCHEMBL8358657

O=C(c1cc2ccccc2n1Cc1ccc(Cl)cc1)N1CCN(Cc2ccncc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.71
PTGS1 P23219 2/20 0.59
CCR2 P41597 2/20 0.58
LSS P48449 1/20 0.55
KDM4E B2RXH2 3/20 0.53
TACR3 P29371 1/20 0.53
F10 P00742 2/20 0.50
F2 P00734 1/20 0.50
PLAT P00750 1/20 0.50
KLK1 P06870 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
THRB P10828 1/20 0.48
CHRNA7 P36544 1/20 0.48
FAAH O00519 1/20 0.47
MGLL Q99685 1/20 0.47
TP53 P04637 1/20 0.47
ALDH1A1 P00352 2/20 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
SCHEMBL12804557 0.91 PTGS2 (0.77) PTGS2PTGS1CCR2KDM4EF10
SCHEMBL13900123 0.89 PTGS2 (0.59) PTGS2PTGS1CCR2LSSKDM4E
SCHEMBL13900134 0.88 PTGS2 (0.54) PTGS2PTGS1CCR2KDM4EF10
SCHEMBL8357845 0.87 PTGS2 (0.53) PTGS2LSSKDM4ETACR3F10
SCHEMBL13900118 0.86 F10 (0.67) PTGS2PTGS1CCR2F10F2
SCHEMBL12804319 0.84 PTGS2 (0.58) PTGS2PTGS1CCR2TACR3CYP3A4
SCHEMBL8357166 0.84 PTGS2 (0.56) PTGS2PTGS1CCR2KDM4EF10
SCHEMBL8357171 0.83 KDM4E (0.53) PTGS2PTGS1LSSKDM4ETACR3
SCHEMBL12804436 0.82 SMN1; SMN2 (0.55) PTGS2PTGS1CCR2THRBTP53
SCHEMBL12803898 0.82 PTGS2 (0.71) PTGS2PTGS1CCR2

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 PTGS2 1300/4885PTGS1 787/4885CCR2 1071/4885

“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.