SCHEMBL4882360

SCHEMBL4882360

CCOC(=O)c1[nH]c2cccnc2c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
HPGD P15428 5/20 0.47
CYP1A2 P05177 2/20 0.47
XBP1 P17861 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 5/20 0.45
HTR6 P50406 2/20 0.45
ALOX15 P16050 3/20 0.44
TUBB4A P04350 2/20 0.44
TUBB P07437 2/20 0.44
TUBA3C P0DPH7 2/20 0.44
TUBA1B P68363 2/20 0.44
TUBA4A P68366 2/20 0.44
TUBB4B P68371 2/20 0.44
TUBB3 Q13509 2/20 0.44
TUBB2A Q13885 2/20 0.44
TUBB8 Q3ZCM7 2/20 0.44
TUBA3E Q6PEY2 2/20 0.44
TUBA1A Q71U36 2/20 0.44
TUBA1C Q9BQE3 2/20 0.44

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
SCHEMBL13447133 0.84 KDM4E (0.56) ALDH1A1HPGDCYP1A2KDM4EHTR6
SCHEMBL3881195 0.84 KDM4E (0.45) ALDH1A1HPGDCYP1A2KDM4EHTR6
SCHEMBL14195215 0.83 CSF1R (0.50) ALDH1A1KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL18322245 0.83 ALDH1A1 (0.58) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL13447134 0.81 ALOX5 (0.46) ALDH1A1HPGDKDM4EGAAMAPT
SCHEMBL23726552 0.80 ALDH1A1 (0.44) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL18322246 0.80 PDE9A (0.51) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL13447132 0.80 NPC1 (0.45) ALDH1A1HPGDCYP1A2KDM4EHTR6
SCHEMBL13761304 0.78 ALDH1A1 (0.47) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL2730164 0.77 KDM4E (0.63) ALDH1A1HPGDCYP1A2XBP1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280946-A1 Azaindole-Derivatives As Factor Xa Inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-11-13 US disclosed
US-7317027-B2 1-substituted 2-carboxamide derivatives of fused ring pyrroles, especially pyrrolo[2,3-b]pyridines and pyrrolo[3,2-b]pyridines, e.g., 1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-01-08 US disclosed
EP-1636226-A1 AZAINDOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 EP disclosed
US-20050009828-A1 Azaindole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND (DE) 2005-01-13 US disclosed
WO-2004101563-A1 AZAINDOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 WO disclosed
EP-1479680-A1 Azaindole derivatives as Factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2004-11-24 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 (2 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-20050009828-A1 Azaindole-derivatives as factor Xa inhibitors F12, F5, F11 ALDH1A1 2292/4885HPGD 1537/4885CYP1A2 114/4885
US-20080280946-A1 Azaindole-Derivatives As Factor Xa Inhibitors F12, F5, F11 ALDH1A1 2202/4885HPGD 1329/4885CYP1A2 82/4885

“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.