SCHEMBL6399778

SCHEMBL6399778

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

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.59
RAB9A P51151 2/20 0.57
AKR1C3 P42330 1/20 0.57
HTR2A P28223 1/20 0.57
HTT P42858 1/20 0.54
MAOB P27338 1/20 0.53
ALDH1A1 P00352 2/20 0.52
TSHR P16473 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.50
MAPT P10636 1/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL37664 0.87 HTR2A (0.62) IDO1RAB9AAKR1C3HTR2AHTT
SCHEMBL37665 0.85 AKR1C3 (0.62) IDO1RAB9AAKR1C3HTR2AHTT
Hydrochloric Acid SCHEMBL11843534 0.84 IDO1 (0.61) IDO1RAB9AAKR1C3HTR2AHTT
SCHEMBL11182492 0.84 IDO1 (0.58) IDO1RAB9AAKR1C3HTR2AHTT
SCHEMBL6481479 0.84 IDO1 (0.58) IDO1RAB9AAKR1C3HTR2AHTT
SCHEMBL11099610 0.84 IDO1 (0.58) IDO1RAB9AAKR1C3HTR2AHTT
SCHEMBL1555636 0.84 ALDH1A1 (0.59) IDO1RAB9AAKR1C3HTR2AHTT
SCHEMBL1013 0.84 IDO1 (0.62) IDO1RAB9AAKR1C3HTR2AHTT
SCHEMBL17128295 0.84 IDO1 (0.58) IDO1RAB9AAKR1C3HTR2AHTT
SCHEMBL4725847 0.84 HTR2A (0.59) IDO1RAB9AAKR1C3HTR2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5480987-A 2-substituted alkyl-3-carboxy carbapenems as antibiotics and a method of producing them AMERICAN CYANAMID COMPANY (US) 1996-01-02 US claimed
US-5369102-A B-lactamase inhibitors AMERICAN CYANAMID COMPANY (US) 1994-11-29 US claimed
EP-0478874-A2 Novel 2-substituted alkyl-3-carboxy carbapenems as antibiotics and a method of producing them AMERICAN CYANAMID COMPANY (US) 1992-04-08 EP claimed
US-5068232-A Bactericides AMERICAN CYANAMID COMPANY (US) 1991-11-26 US claimed
US-4639441-A ANTIBACTERIAL PENICILLINS SANKYO COMPANY LIMITED (JP) 1987-01-27 US claimed
EP-0024832-A1 Beta-lactam antibiotics, their preparation, pharmaceutical compositions containing them and their preparation BEECHAM GROUP PLC (GB) 1981-03-11 EP claimed
US-20130177963-A1 ASYMMETRIC HYDROLASE AND GENE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-11 US disclosed
EP-2607480-A1 Asymmetric hydrolase and gene thereof Sumitomo Chemical Company, Limited (JP) 2013-06-26 EP disclosed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
US-6867297-B1 Process for synthesizing 4-substituted azetidinone derivatives DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-03-15 US disclosed
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-06 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
EP-0757051-B1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-10-29 EP disclosed
US-4331676-A 2-PENEM COMPOUNDS UNSUBSTITUTED IN THE 6 POSITION CIBA-GEIGY CORPORATION (US) 1982-05-25 US disclosed
EP-0050927-A1 The preparation of beta-lactam antibiotics BEECHAM GROUP PLC (GB) 1982-05-05 EP disclosed
US-4288364-A REACTING A 3-/2-HYDROXYIMINOACETYLAMINO/-2-OXOAZETIDINE WITH AN ORGANIC CARBONATE OR ACYL HALIDE CIBA-GEIGY CORPORATION (US) 1981-09-08 US disclosed
EP-0024832-A1 Beta-lactam antibiotics, their preparation, pharmaceutical compositions containing them and their preparation BEECHAM GROUP PLC (GB) 1981-03-11 EP disclosed
US-4248868-A FOR TREATING SYSTEMIC INFECTIONS BY GRAMPOSITIVE AND GRAM NEGATIVE BACTERIA CIBA-GEIGY CORPORATION (US) 1981-02-03 US disclosed
US-4112110-A Oxygenated azatetracyclic compounds CIBA-GEIGY CORPORATION (US) 1978-09-05 US disclosed
US-4070477-A PENICILLINS CIBA-GEIGY CORPORATION (US) 1978-01-24 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 IDO1 3354/4885RAB9A 362/4885AKR1C3 1703/4885
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same MRPL21, MRPS2, MRPS28 IDO1 2202/4885RAB9A 2939/4885AKR1C3 2942/4885

“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.