SCHEMBL5619633

SCHEMBL5619633

O=C(Cn1c(C(=O)O)cc2cc(C(=O)N3CCCOCC3)ccc21)Nc1ccc(Cl)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
MAPT P10636 2/20 0.40
ECE1 P42892 1/20 0.38
LRRK2 Q5S007 3/20 0.38
JAK2 O60674 1/20 0.38
MOK Q9UQ07 2/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
PKM P14618 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
RHOA P61586 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL3236594 0.86 GRM5 (0.44) HRH3MOKALDH1A1MAPK1TSHR
SCHEMBL1651875 0.84 F10 (0.55)
SCHEMBL3369253 0.73 GRM5 (0.43) MOKHPGDALDH1A1MAPK1
SCHEMBL1652749 0.72 F10 (0.69)
SCHEMBL5618711 0.70 F10 (0.47) SMN1; SMN2ALDH1A1NPC1LMNAHTT
SCHEMBL4416019 0.69 GRM5 (0.43) MOKALDH1A1LMNAPOLBMAPK1
SCHEMBL5618454 0.69 MOK (0.44) MOKALDH1A1LMNATSHRL3MBTL1
SCHEMBL5039023 0.69 ALDH1A1 (0.46) MOKSMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL8987 0.68 PKM (0.51) HRH3GAAHPGDSMN1; SMN2PKM
SCHEMBL5040147 0.68 GRM5 (0.45) MOKALDH1A1LMNAPKMMAPK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196103-B2 Indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-03-27 US claimed
JP-2006528940-A 2006-12-28 JP claimed
EP-1633746-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-15 EP claimed
US-20050033049-A1 Indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-10 US claimed
WO-2004101554-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO claimed
US-7196103-B2 Indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-03-27 US disclosed
EP-1633746-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-15 EP disclosed
US-20050033049-A1 Indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-10 US disclosed
WO-2004101554-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 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-20050033049-A1 Indole derivatives as factor Xa inhibitors TFPI, TFPI2, F2 HRH3 1037/4885MAPT 3451/4885ECE1 65/4885

“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.