SCHEMBL3960843

SCHEMBL3960843

O=C(O)c1cc2ccccc2n1-c1cc(Cl)cc(Cl)c1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.76
▸ TSHR P16473 1/20 0.76
▸ DAO P14920 1/20 0.56
▸ CCR2 P41597 5/20 0.55
▸ MCL1 Q07820 1/20 0.54
▸ PLA2G10 O15496 7/20 0.54
▸ CYP1A2 P05177 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ F10 P00742 2/20 0.43
▸ LDHA P00338 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
SCHEMBL3957422 0.89 ALDH1A1 (0.79) ALDH1A1TSHRDAOCCR2MCL1
SCHEMBL3968107 0.88 ALDH1A1 (0.77) ALDH1A1TSHRDAOCCR2MCL1
SCHEMBL30194196 0.86 ALDH1A1 (1.00) ALDH1A1TSHRDAOCCR2MCL1
SCHEMBL5208338 0.86 ALDH1A1 (1.00) ALDH1A1TSHRDAOCCR2MCL1
SCHEMBL28414221 0.83 ALDH1A1 (0.73) ALDH1A1TSHRDAOCCR2MCL1
SCHEMBL5247396 0.81 ALDH1A1 (0.76) ALDH1A1TSHRDAOCCR2MCL1
Dimethylamine SCHEMBL4930574 0.81 ALDH1A1 (0.87) ALDH1A1TSHRDAOCCR2MCL1
SCHEMBL9260948 0.79 ALDH1A1 (0.79) ALDH1A1TSHRDAOCCR2MCL1
SCHEMBL31066537 0.79 ALDH1A1 (0.64) ALDH1A1TSHRDAOCCR2MCL1
SCHEMBL3803281 0.79 ALDH1A1 (0.64) ALDH1A1TSHRDAOCCR2MCL1

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 14 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
EP-1314733-A1 Indole-2-carboxamides as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2003-05-28 — — EP 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 ALDH1A1 2106/4885TSHR 232/4885DAO 654/4885
US-20030199689-A1 New indole derivatives as factor Xa inhibitors F5, F12, F2 ALDH1A1 1886/4885TSHR 484/4885DAO 456/4885
US-20050043302-A1 New indole derivatives as factor Xa inhibitors F12, F5, F2 ALDH1A1 1808/4885TSHR 244/4885DAO 966/4885

“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.

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