SCHEMBL6978093

SCHEMBL6978093

Nc1nccc2ccc(C(=O)OC(=O)C(F)(F)F)cc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.40
PLAU P00749 2/20 0.39
TLR7 Q9NYK1 2/20 0.38
CNR2 P34972 2/20 0.38
CSNK2A1 P68400 1/20 0.38
F12 P00748 1/20 0.37
NCF1 P14598 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
BACE1 P56817 1/20 0.37
F2 P00734 2/20 0.35
PRSS1 P07477 2/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL6978086 0.80 PLAU (0.55) F10PLAUTLR7CNR2CSNK2A1
SCHEMBL6982791 0.76 LMNA (0.50)
SCHEMBL6978513 0.75 PLAU (0.63) F10PLAUCSNK2A1F12NCF1
SCHEMBL6436253 0.75 CSNK2A1 (0.54) F10PLAUCSNK2A1F12NCF1
Hydrochloric Acid SCHEMBL6974947 0.75 LMNA (0.49)
SCHEMBL7656982 0.71 CES2 (0.52)
SCHEMBL28093052 0.71 CES1 (0.38) F2PRSS1
SCHEMBL2544526 0.70 F12 (0.51) PLAUF12NCF1NOS3NOS1
SCHEMBL7653953 0.70 CES2 (0.50)
SCHEMBL6770804 0.68 KLKB1 (0.35) F10PLAUPRSS1

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
EP-1012166-B1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2003-10-29 EP disclosed
US-6420438-B1 FOR THERAPY OF THROMBOTIC DISEASE, ASTHMA, EMPHYSEMA, CIRRHOSIS, ARTHRITIS, CARCINOMA, MELANOMA, RESTENOIS, ATHEROMA, TRAUMA, SHOCK AND REPERFUSION INJURY TULARIK LIMITED (GB) 2002-07-16 US disclosed
US-20020040144-A1 1-amino-7-isoquinoline derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2002-04-04 US disclosed
US-6262069-B1 1-amino-7-isoquinoline derivatives as serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2001-07-17 US disclosed
EP-1012166-A1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS Protherics Molecular Design Limited (GB) 2000-06-28 EP disclosed
WO-1999011657-A1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS PROTEUS MOLECULAR DESIGN LTD. (GB) 1999-03-11 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-20020040144-A1 1-amino-7-isoquinoline derivatives as serine protease inhibitors CTRL, HPN, CTSL F10 1211/4885PLAU 321/4885TLR7 2636/4885

“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.