SCHEMBL6983681

SCHEMBL6983681

NC(=O)N1CCCCC1.Nc1nccc2ccc(C(=O)N(CC(=O)O)c3ccccc3)cc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.42
F10 P00742 5/20 0.41
ALDH1A1 P00352 2/20 0.35
MAPK14 Q16539 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HPGD P15428 1/20 0.34
PLAU P00749 2/20 0.34
C1S P09871 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33

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
SCHEMBL6983741 0.92 F2 (0.38) F2F10MAPK14CYP2C9L3MBTL1
SCHEMBL6974985 0.91 F2 (0.41) F2F10ALDH1A1MAPK14CYP1A2
SCHEMBL6984824 0.90 F10 (0.50) F2F10ALDH1A1C1S
SCHEMBL6979831 0.89 F10 (0.44) F2F10ALDH1A1C1S
SCHEMBL6985250 0.89 F10 (0.42) F2F10ALDH1A1C1S
SCHEMBL6979249 0.89 F2 (0.41) F2F10MAPK14
SCHEMBL6981791 0.88 KMT2A (0.44) F2F10ALDH1A1CYP3A4CYP2C9
SCHEMBL6979340 0.88 F10 (0.48) F2F10ALDH1A1CYP2C9CYP2C19
SCHEMBL6979107 0.88 F10 (0.56) F2F10ALDH1A1MAPK14C1S
SCHEMBL6979913 0.88 F2 (0.39) F2F10MAPK14

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 F2 776/4885F10 1211/4885ALDH1A1 1999/4885

“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.