SCHEMBL3392826

SCHEMBL3392826

CC(=O)N(c1ccccc1)c1ccc([N+](=O)[O-])c(C(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.49
TSHR P16473 3/20 0.43
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
AKR1C3 P42330 4/20 0.41
AKR1C2 P52895 4/20 0.41
AKR1B1 P15121 2/20 0.41
AKR1C4 P17516 2/20 0.41
AKR1C1 Q04828 2/20 0.41
AKR1B10 O60218 1/20 0.41
CDC25B P30305 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MGLL Q99685 1/20 0.40
CASP6 P55212 1/20 0.40
ATM Q13315 1/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL31338514 0.79 MAPT (0.60) DTYMKTSHRKDM4EGLAMEN1
SCHEMBL297769 0.79 MAPT (0.60) DTYMKTSHRKDM4EGLAMEN1
SCHEMBL4609556 0.78 TSHR (0.54) TSHRKDM4EGLAAKR1C3AKR1C2
SCHEMBL1873510 0.77 ALDH1A1 (0.50) KDM4EGLACDC25BMEN1KMT2A
SCHEMBL6081366 0.75 HCAR3 (0.54) DTYMKTSHRKDM4EMEN1KMT2A
SCHEMBL10527436 0.75 ATM (0.43) TSHRMEN1KMT2AMGLLATM
SCHEMBL8742107 0.75 TPMT (0.49) TSHRKDM4EGLAMEN1KMT2A
SCHEMBL8044893 0.74 NPSR1 (0.61) TSHRGLAMEN1KMT2AATM
SCHEMBL7497984 0.74 DTYMK (0.51) DTYMKTSHRKDM4EGLAAKR1C3
SCHEMBL11551945 0.74 PDE7A (0.44) TSHRMEN1KMT2AATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112724349-A Novel polymers and uses thereof 立邦涂料(中国)有限公司 2021-04-30 CN claimed
US-20120270282-A1 PENICILLIN-G ACYLASES CODEXIS, INC. (US) 2012-10-25 US claimed
US-8247192-B2 Penicillin-G acylases CODEXIS, INC. (US) 2012-08-21 US claimed
US-20100143968-A1 PENICILLIN-G ACYLASES CODEXIS, INC. (US) 2010-06-10 US claimed
WO-2010054319-A2 PENICILLIN-G ACYLASES CODEXIS, INC. (US) 2010-05-14 WO claimed
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
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
EP-0961825-A1 MUTANT PENICILLIN G ACYLASES BRISTOL-MYERS SQUIBB COMPANY (US) 1999-12-08 EP disclosed
WO-1998020120-A1 MUTANT PENICILLIN G ACYLASES BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-14 WO disclosed
EP-0557509-A4 1994-02-09 EP disclosed
EP-0557509-A1 MACROPOROUS POLYMERIC PARTICLES AS BIOCOMPATIBLE SUPPORTS INTERACTION CHROMATOGRAPHY INC. (US) 1993-09-01 EP disclosed
WO-1993006161-A1 MACROPOROUS POLYMERIC PARTICLES AS BIOCOMPATIBLE SUPPORTS INTERACTION CHROMATOGRAPHY INC. (US) 1993-04-01 WO disclosed
US-5168104-A Suspension polymerization and crosslinking of addition polymer in presence of inorganic particles filled with blowing agent; dissolving particles CHEMBIOMED, LTD. (CA) 1992-12-01 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 (5 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 DTYMK 155/4885TSHR 4126/4885KDM4E 1645/4885
US-20250034543-A1 PENICILLIN-G ACYLASES NAAA, PGLS, PNP DTYMK 168/4885TSHR 4074/4885KDM4E 1547/4885
US-20240409916-A1 PENICILLIN-G ACYLASES NAAA, PGLS, PNP DTYMK 184/4885TSHR 3862/4885KDM4E 1732/4885
US-12084697-B2 Penicillin-G acylases NAAA, PGLS, PNP DTYMK 184/4885TSHR 3862/4885KDM4E 1732/4885
US-20100143968-A1 PENICILLIN-G ACYLASES PGLS, PNP, NAAA DTYMK 155/4885TSHR 4126/4885KDM4E 1645/4885

“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.