SCHEMBL3344816

SCHEMBL3344816

O=C(Cl)C(=O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.56
CYP1A2 P05177 1/20 0.56
ALDH1A1 P00352 8/20 0.55
MAPT P10636 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
HTT P42858 2/20 0.54
TSHR P16473 1/20 0.53
GAA P10253 1/20 0.53
PKM P14618 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CES1 P23141 1/20 0.48
GLA P06280 1/20 0.48
KDM4E B2RXH2 1/20 0.48
RECQL P46063 1/20 0.48

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
SCHEMBL641867 0.86 CYP2C19 (0.57) CYP2C19CYP1A2ALDH1A1MAPTMEN1
SCHEMBL5160372 0.82 CYP2C19 (0.67) CYP2C19CYP1A2ALDH1A1MAPTMEN1
SCHEMBL6932662 0.82 CYP2C19 (0.61) CYP2C19CYP1A2ALDH1A1MAPTMEN1
SCHEMBL2441292 0.81 ALDH1A1 (0.57) CYP2C19CYP1A2ALDH1A1MAPTMEN1
Water SCHEMBL8902538 0.81 CYP2C19 (0.65) CYP2C19CYP1A2ALDH1A1MAPTMEN1
SCHEMBL7693596 0.81 TSHR (0.53) CYP2C19CYP1A2ALDH1A1MAPTMEN1
SCHEMBL9698823 0.81 TSHR (0.53) CYP2C19CYP1A2ALDH1A1MAPTMEN1
SCHEMBL6659092 0.81 LOXL2 (0.57) CYP2C19CYP1A2ALDH1A1MAPTMEN1
Silver SCHEMBL11309103 0.80 CYP2C19 (0.59) CYP2C19CYP1A2ALDH1A1MAPTMEN1
SCHEMBL76204 0.80 CYP2C19 (0.64) CYP2C19CYP1A2ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6395894-B2 BACTERICIDES MERCK & CO., INC. 2002-05-28 US claimed
US-10933051-B2 Carbapenem compounds and compositions for the treatment of bacterial infections FOB SYNTHESIS, INC. (US) 2021-03-02 US disclosed
US-20200155508-A1 Carbapenem Compounds and Compositions for the Treatment of Bacterial Infections CHOI, WOO-BAEG, DR. 2020-05-21 US disclosed
EP-3634471-A1 CARBAPENEM COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF BACTERIAL INFECTIONS FOB Synthesis, Inc. (US) 2020-04-15 EP disclosed
WO-2018227178-A1 CARBAPENEM COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF BACTERIAL INFECTIONS FOB SYNTHESIS, INC. (US) 2018-12-13 WO disclosed
EP-2127650-B1 Carbapenem antibacterials with gram-negative activity and processes for their preparation FOB SYNTHESIS INC (US) 2018-12-05 EP disclosed
US-9937151-B2 Carbapenem antibacterials with gram-negative activity FOB SYNTHESIS, INC. (US) 2018-04-10 US disclosed
EP-2590978-B1 CARBAPENEM ANTIBACTERIALS WITH GRAM-NEGATIVE ACTIVITY FOB SYNTHESIS INC (US) 2017-09-20 EP disclosed
US-20150306071-A1 Carbapenem Antibacterials with Gram-Negative Activity CHOI, WOO-BAEG, DR. 2015-10-29 US disclosed
US-9149461-B2 Carbapenem antibacterials with gram-negative activity FOB SYNTHESIS, INC. (US) 2015-10-06 US disclosed
EP-0130025-B1 2-ALKYLTHIOPENEM DERIVATIVES PFIZER INC. (US) 1987-07-08 EP disclosed
EP-0211236-A1 7-Oxo-4-thia-1-azabicyclo[3,2,0]hept-2-ene derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1987-02-25 EP disclosed
US-4619924-A BACTERICIDES PFIZER INC. (US) 1986-10-28 US disclosed
US-4614737-A ANTIBIOTICS PFIZER INC. (US) 1986-09-30 US disclosed
EP-0167011-A2 Beta-lactam compounds, intermediates thereof, their use in preparing beta-lactams having a diketopiperazine group BEECHAM GROUP PLC (GB) 1986-01-08 EP disclosed
EP-0138538-A1 2-Dioxacycloalkylthiopenem derivatives PFIZER INC. (US) 1985-04-24 EP disclosed
EP-0138539-A1 2-Azacycloalkylthiopenem derivatives PFIZER INC. (US) 1985-04-24 EP disclosed
EP-0132101-A1 2-Heterocycloalkylthiopenem derivatives PFIZER INC. (US) 1985-01-23 EP disclosed
EP-0130025-A1 2-Alkylthiopenem derivatives PFIZER INC. (US) 1985-01-02 EP disclosed
US-4395418-A 6-HYDROXYETHYL SUBSTITUTED ANTIBIOTICS SANKYO COMPANY LIMITED (JP) 1983-07-26 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 (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-10933051-B2 Carbapenem compounds and compositions for the treatment of bacterial infections SLC11A2, GSK3B, GSK3A CYP2C19 895/4885CYP1A2 3090/4885ALDH1A1 3484/4885
US-20200155508-A1 Carbapenem Compounds and Compositions for the Treatment of Bacterial Infections SLC11A2, GSK3B, GSK3A CYP2C19 895/4885CYP1A2 3090/4885ALDH1A1 3484/4885
US-20150306071-A1 Carbapenem Antibacterials with Gram-Negative Activity MGAM, GSK3B, GSK3A CYP2C19 1538/4885CYP1A2 3934/4885ALDH1A1 3898/4885

“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.