SCHEMBL8355121

SCHEMBL8355121

O=C(c1cc2ccccc2n1-c1cccc(Cl)c1)N1CCN(Cc2ccncc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
LMNA P02545 1/20 0.51
PTGS2 P35354 2/20 0.49
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TACR3 P29371 1/20 0.46
LSS P48449 1/20 0.46
F10 P00742 2/20 0.46
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
HTR1A P08908 1/20 0.45
HTR7 P34969 1/20 0.45
TSHR P16473 1/20 0.45
PTGS1 P23219 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL8357171 0.92 KDM4E (0.53) KDM4ELMNAPTGS2ALDH1A1TACR3
SCHEMBL8357845 0.91 PTGS2 (0.53) KDM4EPTGS2ALDH1A1TACR3LSS
SCHEMBL13900061 0.83 LSS (0.55) KDM4ELMNAPTGS2ALDH1A1LSS
SCHEMBL13900088 0.83 F10 (0.55) KDM4ELMNAF10MGLL
SCHEMBL8358657 0.82 PTGS2 (0.71) KDM4EPTGS2ALDH1A1TACR3LSS
SCHEMBL13900123 0.80 PTGS2 (0.59) KDM4EPTGS2TACR3LSSF10
SCHEMBL5751986 0.79 MEN1 (0.61) PTGS2ALDH1A1SMN1; SMN2HTR1AHTR7
SCHEMBL13900134 0.78 PTGS2 (0.54) KDM4EPTGS2ALDH1A1F10TSHR
SCHEMBL8358965 0.75 F10 (0.56) F10
SCHEMBL13900076 0.75 F10 (0.65) ALDH1A1F10TSHR

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 KDM4E 1568/4885LMNA 577/4885PTGS2 1300/4885

“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.