SCHEMBL6982268

SCHEMBL6982268

Cc1ccc(CNC(=O)CN(C(=O)c2ccc3ccnc(N)c3c2)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
KLKB1 P03952 4/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 4/20 0.41
GAA P10253 1/20 0.40
KLK1 P06870 1/20 0.40
NPC1 O15118 1/20 0.40
MEN1 O00255 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40

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
SCHEMBL6981804 0.90 KMT2A (0.46) HDAC1HDAC6KLKB1ALDH1A1LMNA
SCHEMBL6978341 0.85 ALDH1A1 (0.52) MAPTALDH1A1LMNAHPGDKMT2A
SCHEMBL6982561 0.80 NPC1 (0.44) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL6217640 0.79 HPGD (0.59) HDAC1HDAC6SMN1; SMN2ALDH1A1LMNA
SCHEMBL1622988 0.78 F2 (0.55) HDAC1HDAC6KLKB1SMN1; SMN2ALDH1A1
SCHEMBL6985466 0.75 C1S (0.51) KLKB1MAPTALDH1A1KMT2AKLK1
SCHEMBL6975794 0.74 KLKB1 (0.53) KLKB1KLK1
SCHEMBL6980408 0.73 ALDH1A1 (0.37) MAPTALDH1A1HPGDHTT
SCHEMBL6983671 0.72 TAOK3 (0.48) MAPTSMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL6983358 0.72 POLB (0.43) MAPTSMN1; SMN2ALDH1A1LMNAHPGD

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 HDAC1 357/4885HDAC6 3047/4885KLKB1 798/4885

“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.