SCHEMBL2531926

SCHEMBL2531926

O=C(OCc1ccc([N+](=O)[O-])cc1)ON1C(=O)CCC1=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
ATM Q13315 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.46
IDO1 P14902 2/20 0.45
AKR1C3 P42330 1/20 0.44
PARL Q9H300 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL11932224 0.91 HTR2A (0.45) HTR2ATDP1ATMALDH1A1MAPT
SCHEMBL12237288 0.87 CHRM5 (0.44) TDP1ATMPARL
SCHEMBL1578918 0.82 ALDH1A1 (0.48) TDP1ALDH1A1MAPTPARLSMN1; SMN2
SCHEMBL2454828 0.81 HTR2A (0.45) HTR2ATDP1ATMALDH1A1MAPT
SCHEMBL37664 0.81 HTR2A (0.62) HTR2AALDH1A1RAB9AIDO1AKR1C3
SCHEMBL2208957 0.80 MGLL (0.44) MAPTRAB9APOLBSMN1; SMN2
SCHEMBL5357731 0.80 NAAA (0.43) TDP1ALDH1A1MAPTPOLB
SCHEMBL5354116 0.80 NAAA (0.43) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL13065050 0.80 CCNE1 (0.36) HPGD
SCHEMBL1992162 0.80 MGLL (0.45) ALDH1A1MAPTRAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592436-A4 COMPOUNDS THAT BIND P2Y sb 2 /sb OR P2Y sb 1 /sb RECEPTORS KIMBERLY CLARK CO (US) 2009-09-02 EP claimed
US-7056889-B2 Compounds that bind P2Y2 or P2Y1 receptors KIMBERLY-CLARK, WORLDWIDE, INC. (US) 2006-06-06 US claimed
EP-1592436-A2 COMPOUNDS THAT BIND P2Y sb 2 /sb OR P2Y sb 1 /sb RECEPTORS Kimberly-Clark Worldwide, Inc. (US) 2005-11-09 EP claimed
WO-2004060907-A2 COMPOUNDS THAT BIND P2Y2 OR P2Y1 RECEPTORS KIMBERLY-CLARK WORLDWIDE, INC. (US) 2004-07-22 WO claimed
US-20040116339-A1 Compounds that bind P2Y2 or P2Y1 receptors KIMBERLY-CLARK WORLDWIDE, INC. 2004-06-17 US claimed
US-11117915-B2 Antibacterial aminoglycoside analogs Cipla USA, Inc. (US) 2021-09-14 US disclosed
US-20200317709-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS Cipla USA, Inc. 2020-10-08 US disclosed
US-RE47741-E1 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2019-11-26 US disclosed
US-20170210778-A1 NOVEL COMPOUNDS INVIVOGEN SAS (FR) 2017-07-27 US disclosed
US-9688711-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2017-06-27 US disclosed
US-9688711-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2017-06-27 US disclosed
EP-3169698-A1 NOVEL COMPOUNDS The Provost, Fellows, Foundation Scholars, & the other members of Board, of the College of Holy and Undiv. Trinity of Queen Elizabeth near Dublin (IE) 2017-05-24 EP disclosed
EP-1959968-A2 MODULATION OF THE P2Y2 RECEPTOR PATHWAY P2-Science APS (DK) 2008-08-27 EP disclosed
WO-2007065437-A2 MODULATION OF THE P2Y2 RECEPTOR PATHWAY P2-SCIENCE APS (DK) 2007-06-14 WO disclosed
US-7056889-B2 Compounds that bind P2Y2 or P2Y1 receptors KIMBERLY-CLARK, WORLDWIDE, INC. (US) 2006-06-06 US disclosed
EP-1592436-A2 COMPOUNDS THAT BIND P2Y sb 2 /sb OR P2Y sb 1 /sb RECEPTORS Kimberly-Clark Worldwide, Inc. (US) 2005-11-09 EP disclosed
WO-2004060907-A2 COMPOUNDS THAT BIND P2Y2 OR P2Y1 RECEPTORS KIMBERLY-CLARK WORLDWIDE, INC. (US) 2004-07-22 WO disclosed
US-20040116339-A1 Compounds that bind P2Y2 or P2Y1 receptors KIMBERLY-CLARK WORLDWIDE, INC. 2004-06-17 US disclosed
EP-0451519-B1 Process for the preparation of N-succinimidylcarbonates CHEMIE LINZ GMBH (AT) 1994-12-14 EP disclosed
EP-0451519-A1 Process for the preparation of N-succinimidylcarbonates Chemie Linz GmbH (AT) 1991-10-16 EP 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 (3 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-20200317709-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, MRPL9, NQO2 HTR2A 3339/4885TDP1 2209/4885ATM 2071/4885
US-11117915-B2 Antibacterial aminoglycoside analogs MRPL21, MRPL9, NQO2 HTR2A 3339/4885TDP1 2209/4885ATM 2071/4885
US-20170210778-A1 NOVEL COMPOUNDS F12, C1R, F11 HTR2A 3356/4885TDP1 2951/4885ATM 2372/4885

“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.