SCHEMBL5213665

SCHEMBL5213665

CC(=O)c1cn(Cc2ccccc2)c2c([N+](=O)[O-])cccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.44
MAPK1 P28482 1/20 0.43
LMNA P02545 3/20 0.42
CREBBP Q92793 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
ADORA1 P30542 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5215482 0.80 POLB (0.52) POLBL3MBTL1MAPK1LMNACREBBP
SCHEMBL5210375 0.75 POLB (0.53) POLBL3MBTL1MAPK1LMNACNR1
SCHEMBL16259052 0.75 POLB (0.53) POLBL3MBTL1MAPK1LMNACREBBP
SCHEMBL17324721 0.74 POLB (0.79) POLBL3MBTL1MAPK1LMNACREBBP
SCHEMBL30049353 0.74 POLB (0.79) POLBL3MBTL1MAPK1LMNACREBBP
SCHEMBL3592856 0.73 SERPINE1 (0.37) POLBLMNAALDH1A1MAPTNPSR1
SCHEMBL3597190 0.72 CES2 (0.38) POLBMAPK1LMNAMAPTNPSR1
SCHEMBL3598769 0.70 NPC1 (0.49) POLBL3MBTL1MAPK1ALDH1A1MAPT
SCHEMBL2006432 0.70 LMNA (0.56) L3MBTL1MAPK1LMNACNR1CNR2
SCHEMBL4808613 0.69 POLB (0.52) POLBL3MBTL1MAPK1LMNACREBBP

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1240154-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed
US-7157585-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2007-01-02 US disclosed
US-20050215587-A1 Serine protease inhibitors LIVELY SARAH E 2005-09-29 US disclosed
US-6916957-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2005-07-12 US disclosed
US-20030018059-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-01-23 US 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 (2 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-20050215587-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 POLB 4675/4885L3MBTL1 625/4885MAPK1 2266/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 POLB 4755/4885L3MBTL1 896/4885MAPK1 1807/4885

“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.