SCHEMBL3962974

SCHEMBL3962974

O=C(Cn1c(C(=O)O)cc2cc(F)cc(F)c21)Nc1ccc(Cl)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 6/20 0.44
TSHR P16473 4/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 5/20 0.43
PKM P14618 2/20 0.43
KMT2A Q03164 1/20 0.43
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL3968297 0.85 CCR2 (0.50) TDP1ALDH1A1SMN1; SMN2POLBRAB9A
SCHEMBL3963940 0.80 F10 (0.52) TDP1ALDH1A1SMN1; SMN2RAB9ATSHR
SCHEMBL3963966 0.79 F10 (0.62) TDP1ALDH1A1SMN1; SMN2POLBRAB9A
SCHEMBL1675081 0.79 F10 (0.73) F2F10
SCHEMBL3962359 0.73 CCR2 (0.53) TDP1ALDH1A1SMN1; SMN2POLBRAB9A
SCHEMBL4879163 0.73 F10 (0.58) TDP1ALDH1A1SMN1; SMN2POLBRAB9A
SCHEMBL15911391 0.72 F10 (0.59) F2F10
SCHEMBL4879621 0.71 F10 (0.69) TDP1ALDH1A1SMN1; SMN2POLBRAB9A
SCHEMBL5618711 0.70 F10 (0.47) TDP1ALDH1A1SMN1; SMN2RAB9ATSHR
SCHEMBL5054792 0.70 TDP1 (0.57) TDP1ALDH1A1SMN1; SMN2POLBRAB9A

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 TDP1 1081/4885ALDH1A1 2106/4885SMN1; SMN2 4130/4885
US-20030199689-A1 New indole derivatives as factor Xa inhibitors F5, F12, F2 TDP1 1138/4885ALDH1A1 1886/4885SMN1; SMN2 4319/4885
US-20050043302-A1 New indole derivatives as factor Xa inhibitors F12, F5, F2 TDP1 1113/4885ALDH1A1 1808/4885SMN1; SMN2 4060/4885

“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.