SCHEMBL6476559

SCHEMBL6476559

N#Cc1ccc(CBr)cc1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.58
FNTB P49356 3/20 0.58
PGGT1B P53609 3/20 0.58
MAOB P27338 3/20 0.55
FFAR1 O14842 1/20 0.49
FFAR4 Q5NUL3 1/20 0.49
XDH P47989 3/20 0.47
MAOA P21397 1/20 0.46

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
SCHEMBL6484493 0.85 FNTA (0.58) FNTAFNTBPGGT1BMAOBFFAR1
SCHEMBL6477825 0.85 FNTA (0.58) FNTAFNTBPGGT1BMAOBFFAR1
SCHEMBL3865512 0.81 MAOB (0.77) FNTAFNTBPGGT1BMAOBFFAR1
SCHEMBL28185508 0.81 MAOB (0.58) FNTAFNTBPGGT1BMAOBFFAR1
SCHEMBL3236287 0.80 SLC2A1 (0.52)
SCHEMBL15831939 0.80 MAOB (0.56) FNTAFNTBPGGT1BMAOBFFAR1
SCHEMBL551837 0.80 FFAR1 (0.67) FNTAFNTBPGGT1BMAOBFFAR1
SCHEMBL3319334 0.80 MAOB (0.56) FNTAFNTBPGGT1BMAOBFFAR1
SCHEMBL2700393 0.80 MAOB (0.56) FNTAFNTBPGGT1BMAOBFFAR1
SCHEMBL23706506 0.80 MAPK1 (0.51) FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900319-B2 Thrombin inhibitors ABBOTT GMBH & CO. KG (DE) 2005-05-31 US disclosed
US-20020169318-A1 Novel thrombin inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2002-11-14 US disclosed
US-6444817-B1 ANTICOAGULANTS ABBOTT LABORATORIES 2002-09-03 US disclosed
US-6030972-A 2- OR 5-AMINOMETHYL,2- OR 5-CYANOPYRIMIDINES AS INTERMEDIATES OF ANTICOAGULANTS IN EXTRACORPOREAL CIRCULATION (HEART-LUNG MACHINE, HEMODIALYSIS) BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
WO-1996025426-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1996-08-22 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-20020169318-A1 Novel thrombin inhibitors TFPI, SERPINC1, F11 FNTA 1089/4885FNTB 915/4885PGGT1B 650/4885

“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.