SCHEMBL7230169

SCHEMBL7230169

O=C(O)c1ccc(NCCO)nc1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 19/20 0.73
HCAR2 Q8TDS4 2/20 0.62
KDM4D Q6B0I6 1/20 0.49

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
SCHEMBL186474 0.85 HCAR3 (1.00) HCAR3HCAR2
SCHEMBL12639879 0.85 HCAR3 (0.58) HCAR3HCAR2
SCHEMBL3562313 0.85 HCAR3 (0.71) HCAR3HCAR2
SCHEMBL31058294 0.85 HCAR3 (0.71) HCAR3HCAR2
SCHEMBL18193683 0.83 HCAR3 (0.74) HCAR3HCAR2
SCHEMBL31292064 0.82 HCAR3 (0.73) HCAR3HCAR2
SCHEMBL22047713 0.82 HCAR3 (1.00) HCAR3HCAR2
SCHEMBL2128183 0.81 HCAR3 (1.00) HCAR3HCAR2
SCHEMBL11562300 0.81 HCAR3 (0.66) HCAR3HCAR2
SCHEMBL28282999 0.81 HCAR3 (0.66) HCAR3HCAR2

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
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds AVENTIS PHARMACEUTICALS INC. 2003-08-14 US disclosed
US-6541505-B1 Inhibiting the activity of Factor Xa; treating a disease state associated with a physiologically detrimental excess amount of thrombin. AVENTIS PHARMACEUTICALS INC. 2003-04-01 US disclosed
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 EP disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 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-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds SERPINC1, F2, F11 HCAR3 2702/4885HCAR2 1821/4885KDM4D 1987/4885

“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.