SCHEMBL3393320

SCHEMBL3393320

O=C(Cc1ccccc1)Nc1cccc([N+](=O)[O-])c1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.58
GAA P10253 1/20 0.58
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
PKM P14618 1/20 0.54
LMNA P02545 2/20 0.53
KDM4E B2RXH2 1/20 0.53
PLK1 P53350 1/20 0.53
PLK3 Q9H4B4 1/20 0.53
HPGD P15428 2/20 0.51
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL3260677 0.87 RAB9A (0.74) RAB9AGAAKMT2AMEN1NPC1
SCHEMBL1554424 0.81 TDP1 (0.63) RAB9AGAAKMT2AMEN1NPC1
SCHEMBL26364981 0.80 PLK1 (0.52) RAB9AGAAKMT2AMEN1NPC1
SCHEMBL15874898 0.79 TDP1 (0.59) KMT2AMEN1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4609558 0.78 ALDH1A1 (0.54) RAB9AGAAKMT2AMEN1NPC1
SCHEMBL1554602 0.77 TDP1 (0.75) KMT2AMEN1ALDH1A1L3MBTL1TDP1
SCHEMBL12188090 0.76 ALDH1A1 (0.59) RAB9AGAAKMT2AMEN1NPC1
SCHEMBL4629167 0.76 ALDH1A1 (0.57) RAB9AGAAKMT2AMEN1ALDH1A1
SCHEMBL8697182 0.76 L3MBTL1 (0.60) RAB9AGAAKMT2AMEN1NPC1
SCHEMBL27406580 0.76 LMNA (0.70) RAB9AGAAKMT2AMEN1NPC1

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12480111-B2 Penicillin-G acylases CODEXIS, INC. (US) 2025-11-25 US disclosed
US-20250346882-A1 PENICILLIN-G ACYLASES CODEXIS, INC. (US) 2025-11-13 US disclosed
US-12378541-B2 Penicillin-G acylases CODEXIS, INC. (US) 2025-08-05 US disclosed
US-20250034543-A1 PENICILLIN-G ACYLASES CODEXIS INC (US) 2025-01-30 US disclosed
US-20240409916-A1 PENICILLIN-G ACYLASES CODEXIS INC (US) 2024-12-12 US disclosed
US-12084697-B2 Penicillin-G acylases CODEXIS, INC. (US) 2024-09-10 US disclosed
CN-110506113-B Penicillin G acylase 科德克希思公司 2024-05-03 CN disclosed
US-11965192-B2 Penicillin-G acylases CODEXIS, INC. (US) 2024-04-23 US disclosed
CN-117737045-A Penicillin G acylase 科德克希思公司 2024-03-22 CN disclosed
CN-111051506-B Penicillin G acylase 科德克希思公司 2023-11-24 CN disclosed
US-20170321202-A1 PENICILLIN-G ACYLASES INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2017-11-09 US disclosed
WO-2016179464-A1 PENICILLIN-G ACYLASES CODEXIS, INC. (US) 2016-11-10 WO disclosed
US-20160326508-A1 PENICILLIN-G ACYLASES INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2016-11-10 US disclosed
US-8569013-B2 Penicillin-G acylases CODEXIS, INC. (US) 2013-10-29 US disclosed
US-20120270282-A1 PENICILLIN-G ACYLASES CODEXIS, INC. (US) 2012-10-25 US disclosed
US-8247192-B2 Penicillin-G acylases CODEXIS, INC. (US) 2012-08-21 US disclosed
US-20100143968-A1 PENICILLIN-G ACYLASES CODEXIS, INC. (US) 2010-06-10 US disclosed
WO-2010054319-A2 PENICILLIN-G ACYLASES CODEXIS, INC. (US) 2010-05-14 WO disclosed
EP-0792366-A1 ENZYME GENE THERAPY CATALYSING PRODRUG EXTRACELLULAR CONVERSION THE WELLCOME FOUNDATION LIMITED (GB) 1997-09-03 EP disclosed
WO-1996016179-A1 ENZYME GENE THERAPY CATALYSING PRODRUG EXTRACELLULAR CONVERSION THE WELLCOME FOUNDATION LIMITED (GB) 1996-05-30 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 (6 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-20120270282-A1 PENICILLIN-G ACYLASES PGLS, PNP, NAAA RAB9A 3209/4885GAA 12/4885KMT2A 1693/4885
US-20250034543-A1 PENICILLIN-G ACYLASES NAAA, PGLS, PNP RAB9A 3750/4885GAA 19/4885KMT2A 1396/4885
US-20240409916-A1 PENICILLIN-G ACYLASES NAAA, PGLS, PNP RAB9A 3702/4885GAA 26/4885KMT2A 1545/4885
US-11965192-B2 Penicillin-G acylases NAAA, PGLS, PNP RAB9A 3750/4885GAA 19/4885KMT2A 1396/4885
US-12084697-B2 Penicillin-G acylases NAAA, PGLS, PNP RAB9A 3702/4885GAA 26/4885KMT2A 1545/4885
US-20100143968-A1 PENICILLIN-G ACYLASES PGLS, PNP, NAAA RAB9A 3209/4885GAA 12/4885KMT2A 1693/4885

“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.