SCHEMBL6983358

SCHEMBL6983358

Cc1ccc(N2CCN(C(N)=O)CC2)c(C)c1.Nc1nccc2ccc(C(=O)N(CC(=O)O)c3ccccc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.43
HTT P42858 3/20 0.43
F10 P00742 3/20 0.42
C1S P09871 1/20 0.41
F2 P00734 4/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 5/20 0.38
MAPT P10636 5/20 0.37
TP53 P04637 2/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6982494 0.94 C1S (0.41) HTTF10C1SF2LMNA
SCHEMBL6975715 0.93 F10 (0.42) F10C1SF2USP2MAPT
SCHEMBL6985466 0.90 C1S (0.51) F10C1SF2MAPTALDH1A1
SCHEMBL6980046 0.89 CTDSP1 (0.41) POLBHTTF10C1SF2
SCHEMBL6979284 0.88 C1S (0.45) F10C1SF2MAPTALDH1A1
SCHEMBL8124012 0.88 F10 (0.42) F10C1SF2MAPTALDH1A1
SCHEMBL6979702 0.88 F10 (0.42) POLBF10C1SF2MAPT
SCHEMBL6979694 0.87 F10 (0.42) F10C1SF2MAPTALDH1A1
SCHEMBL6985250 0.87 F10 (0.42) POLBHTTF10C1SF2
SCHEMBL6984824 0.87 F10 (0.50) HTTF10C1SF2LMNA

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 POLB 3286/4885HTT 3916/4885F10 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.