SCHEMBL6980804

SCHEMBL6980804

NC(=O)N1CCC(C2CCN(C(N)=O)CC2)CC1.Nc1nccc2ccc(C(=O)N(CC(=O)O)c3cccc4ccccc34)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F10 P00742 6/20 0.38
MAPK14 Q16539 2/20 0.37
F2 P00734 4/20 0.33
F12 P00748 1/20 0.33
PLAU P00749 1/20 0.33
NCF1 P14598 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
BACE1 P56817 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
HTR1A P08908 1/20 0.33
DRD4 P21917 1/20 0.33
KLKB1 P03952 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL6974985 0.90 F2 (0.41) F10MAPK14F2ALDH1A1
SCHEMBL6983346 0.85 ALDH1A1 (0.36) KMT2ASMN1; SMN2F10MAPK14F2
SCHEMBL6981565 0.85 F10 (0.38) F10MAPK14F2PLAUACACB
SCHEMBL6979249 0.82 F2 (0.41) F10MAPK14F2
SCHEMBL6979913 0.82 F2 (0.39) KMT2AF10MAPK14F2
SCHEMBL6979762 0.81 F2 (0.41) KMT2AF10MAPK14F2ALDH1A1
SCHEMBL6983681 0.81 F2 (0.42) F10MAPK14F2PLAUACACB
SCHEMBL6983741 0.80 F2 (0.38) KMT2AF10MAPK14F2ACACB
SCHEMBL6978159 0.80 F10 (0.42) F10MAPK14F2HTTALDH1A1
SCHEMBL6982478 0.80 ROCK1 (0.42) F10MAPK14F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6262069-B1 1-amino-7-isoquinoline derivatives as serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2001-07-17 US claimed
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 KMT2A 2267/4885SMN1; SMN2 4637/4885F10 1211/4885

“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.