SCHEMBL5210375

SCHEMBL5210375

CC(=O)c1cn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
PLA2G2A P14555 1/20 0.52
CNR1 P21554 2/20 0.49
CNR2 P34972 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 3/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 1/20 0.48
ACHE P22303 1/20 0.47
ADORA1 P30542 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
CYP1A2 P05177 1/20 0.45
HSP90AA1 P07900 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL16259052 0.91 POLB (0.53) POLBPLA2G2ACNR1CNR2L3MBTL1
SCHEMBL15712273 0.87 LMNA (0.55) POLBPLA2G2AALDH1A1KMT2ASMN1; SMN2
SCHEMBL28455161 0.84 L3MBTL1 (0.46) PLA2G2ACNR1CNR2L3MBTL1ALDH1A1
SCHEMBL21305564 0.83 PLA2G2A (0.53) POLBPLA2G2ACNR1CNR2ALDH1A1
SCHEMBL15525156 0.82 LMNA (0.56) PLA2G2AALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL14406114 0.81 SERPINE1 (0.53) PLA2G2ACNR1CNR2L3MBTL1ALDH1A1
SCHEMBL5208684 0.80 POLB (0.57) POLBPLA2G2ACNR1CNR2L3MBTL1
SCHEMBL15525164 0.80 LMNA (0.51) PLA2G2AL3MBTL1ALDH1A1LMNAMAPT
SCHEMBL30049353 0.79 POLB (0.79) POLBCNR1CNR2L3MBTL1ALDH1A1
SCHEMBL17324721 0.79 POLB (0.79) POLBCNR1CNR2L3MBTL1ALDH1A1

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 4675/4885PLA2G2A 588/4885CNR1 1298/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 POLB 4755/4885PLA2G2A 1359/4885CNR1 1026/4885

“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.