Sugi Predict

Sugi Predict / Compounds / SCHEMBL2454828

SCHEMBL2454828

SCHEMBL2454828

O=C(OCc1ccc([N+](=O)[O-])cc1)ON1C(=O)C2C=CC(C2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ ATM Q13315 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RAB9A P51151 1/20 0.42
▸ IDO1 P14902 1/20 0.40
▸ PLCG1 P19174 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL22504456 0.88 TDP1 (0.44) HTR2ATDP1ATMALDH1A1MAPT
SCHEMBL16090421 0.86 ALDH1A1 (0.50) HTR2ATDP1ATMALDH1A1MAPT
SCHEMBL9247606 0.86 ALDH1A1 (0.50) HTR2ATDP1ATMALDH1A1MAPT
SCHEMBL9611933 0.86 ALDH1A1 (0.50) HTR2ATDP1ATMALDH1A1MAPT
SCHEMBL15478418 0.82 HTR2A (0.46) HTR2ATDP1ALDH1A1MAPTHPGD
SCHEMBL2531926 0.81 HTR2A (0.49) HTR2ATDP1ATMALDH1A1MAPT
SCHEMBL21580364 0.79 ALDH1A1 (0.45) HTR2ATDP1ATMALDH1A1MAPT
SCHEMBL19035167 0.79 ALDH1A1 (0.45) HTR2ATDP1ATMALDH1A1MAPT
SCHEMBL11932224 0.76 HTR2A (0.45) HTR2ATDP1ATMALDH1A1MAPT
SCHEMBL37664 0.76 HTR2A (0.62) HTR2AALDH1A1RAB9AIDO1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3150617-B1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS CIPLA USA INC (US) 2020-04-08 — — EP disclosed
US-9688711-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2017-06-27 — — US disclosed
EP-3150617-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS Achaogen, Inc. (US) 2017-04-05 — — EP disclosed
US-20160368942-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS Cipla USA, Inc. 2016-12-22 — — US disclosed
EP-2217610-B1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN INC (US) 2016-11-02 — — EP disclosed
US-20150045317-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS Cipla USA, Inc. 2015-02-12 — — US disclosed
US-8822424-B2 Antibacterial aminoglycoside analogs ACHAOGEN, INC. (US) 2014-09-02 — — US disclosed
US-20130217642-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2013-08-22 — — US disclosed
US-20120196791-A1 COMBINATION THERAPIES USING ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS ACHAOGEN, INC. (US) 2012-08-02 — — US disclosed
WO-2010132839-A9 AMINOGLYCOSIDE DOSING REGIMENS ACHAOGEN, INC. (US) 2011-09-15 — — WO disclosed
WO-2010147836-A9 COMBINATION THERAPIES USING ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS ACHAOGEN, INC. (US) 2011-09-15 — — WO disclosed
WO-2010147836-A1 COMBINATION THERAPIES USING ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS ACHAOGEN, INC. (US) 2010-12-23 — — WO disclosed
WO-2010132839-A2 AMINOGLYCOSIDE DOSING REGIMENS ACHAOGEN, INC. (US) 2010-11-18 — — WO disclosed
WO-2010132777-A2 TREATMENT OF URINARY TRACT INFECTIONS WITH ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS ACHAOGEN, INC. (US) 2010-11-18 — — WO disclosed
WO-2010132770-A1 TREATMENT OF KLEBSIELLA PNEUMONIAE INFECTIONS WITH ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS ACHAOGEN, INC. (US) 2010-11-18 — — WO disclosed
EP-2217610-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS Achaogen, Inc. (US) 2010-08-18 — — EP disclosed
US-20100099661-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-04-22 — — US disclosed
WO-2009067692-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2009-05-28 — — 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 (7 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-20130217642-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, MRPL9, NQO2 HTR2A 3339/4885TDP1 2209/4885ATM 2071/4885
US-20200317709-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, MRPL9, NQO2 HTR2A 3339/4885TDP1 2209/4885ATM 2071/4885
US-20160368942-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, MRPL9, NQO2 HTR2A 3339/4885TDP1 2209/4885ATM 2071/4885
US-20150045317-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, MRPL9, NQO2 HTR2A 3339/4885TDP1 2209/4885ATM 2071/4885
US-20100099661-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS MRPL21, MRPL9, NQO2 HTR2A 3339/4885TDP1 2209/4885ATM 2071/4885
US-20120196791-A1 COMBINATION THERAPIES USING ANTIBACTERIAL AMINOGLYCOSIDE COMPOUNDS PIGS, PIGO, NPEPPS HTR2A 4716/4885TDP1 2725/4885ATM 1966/4885
US-11117915-B2 Antibacterial aminoglycoside analogs MRPL21, MRPL9, NQO2 HTR2A 3339/4885TDP1 2209/4885ATM 2071/4885

“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.