SCHEMBL17112129

SCHEMBL17112129

O=C(O)NCc1cn[nH]n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.50
KDM4E B2RXH2 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.41
ENPP2 Q13822 4/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
ATXN2 Q99700 3/20 0.36
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL17107907 0.75 KDM4E (0.47) NAMPTKDM4ETDP1ALDH1A1CYP1A2
SCHEMBL10510071 0.69 CYP1A2 (0.38) NAMPTKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL25194333 0.68 KDM4E (0.51) NAMPTKDM4ETDP1ALDH1A1ENPP2
SCHEMBL3731836 0.68 KDM4E (0.47) KDM4ETDP1ALDH1A1MAPK1ENPP2
SCHEMBL18381379 0.66 LMNA (0.47) KDM4ETDP1ALDH1A1ENPP2OPRM1
SCHEMBL17293023 0.65 NAMPT (0.51) NAMPT
SCHEMBL21407195 0.65 CYP1A2 (0.34) CYP1A2CYP2C9CYP2C19CYP2D6TSHR
SCHEMBL20501735 0.65 SMN1; SMN2 (0.34) KDM4ETDP1ALDH1A1CYP1A2CYP2C9
SCHEMBL11962909 0.65 MAPT (0.44) KDM4ETDP1ALDH1A1CYP1A2CYP2C9
SCHEMBL1933893 0.65 HDAC3 (0.51) NAMPTKDM4ETDP1ALDH1A1MAPK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3511328-B1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS AG (CH) 2021-03-03 EP disclosed
US-20200276169-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2020-09-03 US disclosed
US-10369138-B2 Monobactam organic compounds for the treatment of bacterial infections NOVARTIS AG (CH) 2019-08-06 US disclosed
US-20190231752-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2019-08-01 US disclosed
EP-3511328-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS Novartis AG (CH) 2019-07-17 EP disclosed
EP-3122745-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS Novartis AG (CH) 2017-02-01 EP disclosed
US-20160051523-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS AG (CH) 2016-02-25 US disclosed
US-9174978-B2 Monobactam organic compounds for the treatment of bacterial infections NOVARTIS AG (CH) 2015-11-03 US disclosed
WO-2015148379-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS AG (CH) 2015-10-01 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 (4 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-20190231752-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MGAM, MGAM2, BPGM NAMPT 1747/4885KDM4E 1808/4885TDP1 4313/4885
US-20200276169-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MGAM, MGAM2, BPGM NAMPT 1747/4885KDM4E 1808/4885TDP1 4313/4885
US-10369138-B2 Monobactam organic compounds for the treatment of bacterial infections MGAM, MGAM2, BPGM NAMPT 1747/4885KDM4E 1808/4885TDP1 4313/4885
US-20160051523-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MGAM, MGAM2, BPGM NAMPT 1747/4885KDM4E 1808/4885TDP1 4313/4885

“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.