SCHEMBL6981836

SCHEMBL6981836

NC(=O)N1CCN(c2ccc(F)cc2)CC1.Nc1nccc2ccc(C(=O)N(CC(=O)O)c3ccc(F)cc3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.44
C1S P09871 1/20 0.42
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
MAPK14 Q16539 1/20 0.37
LMNA P02545 3/20 0.36
CXCR2 P25025 1/20 0.36
HTR1A P08908 1/20 0.36
DRD4 P21917 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A7 Q99884 1/20 0.36
SCN9A Q15858 1/20 0.35
DHFR P00374 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 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
SCHEMBL6969289 0.97 F10 (0.47) F10C1SALDH1A1HPGDHSD17B10
SCHEMBL6984824 0.91 F10 (0.50) F10C1SALDH1A1HSD17B10LMNA
SCHEMBL6979340 0.90 F10 (0.48) F10C1SALDH1A1HSD17B10LMNA
SCHEMBL6982988 0.89 F10 (0.47) F10C1SALDH1A1HSD17B10LMNA
SCHEMBL6985466 0.89 C1S (0.51) F10C1SALDH1A1HTR1ADRD4
SCHEMBL6982312 0.89 F10 (0.47) F10C1SALDH1A1SMN1; SMN2LMNA
SCHEMBL6979107 0.88 F10 (0.56) F10C1SALDH1A1MAPK14LMNA
SCHEMBL6980328 0.86 F10 (0.45) F10C1SALDH1A1MEN1KMT2A
SCHEMBL6981897 0.86 F10 (0.48) F10C1SALDH1A1HPGDHSD17B10
SCHEMBL6980071 0.86 F10 (0.45) F10C1SALDH1A1SMN1; SMN2HTR1A

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 1211/4885C1S 115/4885ALDH1A1 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.