SCHEMBL6983741

SCHEMBL6983741

NC(=O)N1CCC(N2CCCCC2)CC1.Nc1nccc2ccc(C(=O)N(CC(=O)O)c3ccccc3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.38
L3MBTL3 Q96JM7 7/20 0.38
L3MBTL1 Q9Y468 6/20 0.38
CYP2C9 P11712 2/20 0.38
ATR Q13535 2/20 0.37
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
F10 P00742 1/20 0.37
LRRK2 Q5S007 1/20 0.36
MBTD1 Q05BQ5 4/20 0.36
MEN1 O00255 1/20 0.36
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
PRKCZ Q05513 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
IKBKG Q9Y6K9 1/20 0.36
TP53BP1 Q12888 1/20 0.36

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
SCHEMBL6983681 0.92 F2 (0.42) F2L3MBTL1CYP2C9ACACBACACA
SCHEMBL6974985 0.90 F2 (0.41) F2CYP2C9F10MAPK14
SCHEMBL6979249 0.88 F2 (0.41) F2F10MAPK14
SCHEMBL6979913 0.87 F2 (0.39) F2F10MEN1KMT2AMAPK14
SCHEMBL6979762 0.86 F2 (0.41) F2F10MEN1KMT2AMAPK14
SCHEMBL6978159 0.85 F10 (0.42) F2F10MAPK14
SCHEMBL6982478 0.85 ROCK1 (0.42) F2F10MAPK14
SCHEMBL6984824 0.84 F10 (0.50) F2F10
SCHEMBL6979831 0.83 F10 (0.44) F2F10KMT2A
SCHEMBL6983346 0.82 ALDH1A1 (0.36) F2L3MBTL1CYP2C9F10MEN1

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 776/4885L3MBTL3 1443/4885L3MBTL1 355/4885

“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.