SCHEMBL17209686

SCHEMBL17209686

CN(Cc1cn[nH]n1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.44
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
OPRM1 P35372 2/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.35
NAMPT P43490 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
HPGD P15428 1/20 0.33
ENPP2 Q13822 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
METAP2 P50579 1/20 0.32
HCAR3 P49019 1/20 0.31

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
SCHEMBL17094094 0.78 ALDH1A1 (0.43) KDM4ETDP1ALDH1A1TRPM8KEAP1
SCHEMBL4199277 0.71 RAB9A (0.38) KDM4EALDH1A1NPC1RAB9ACA12
SCHEMBL19210477 0.68 TDP1 (0.44) KDM4ETDP1ALDH1A1NPC1RAB9A
SCHEMBL13365399 0.68 NPC1 (0.33) NPC1RAB9ACA12CA9HPGD
SCHEMBL3747791 0.67 NPC1 (0.40) ALDH1A1NPC1RAB9ACA12CA9
SCHEMBL19739531 0.66 ALDH1A1 (0.44) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL28110750 0.65
SCHEMBL6204342 0.64 KDM4E (0.52) KDM4ETDP1ALDH1A1SMN1; SMN2
SCHEMBL19948822 0.64 NPC1 (0.41) KDM4ETDP1ALDH1A1NPC1RAB9A
SCHEMBL5431495 0.63 CA12 (0.50) KDM4ETDP1ALDH1A1TRPM8NAMPT

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 7 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
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

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 KDM4E 1808/4885TDP1 4313/4885ALDH1A1 431/4885
US-20200276169-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MGAM, MGAM2, BPGM KDM4E 1808/4885TDP1 4313/4885ALDH1A1 431/4885
US-10369138-B2 Monobactam organic compounds for the treatment of bacterial infections MGAM, MGAM2, BPGM KDM4E 1808/4885TDP1 4313/4885ALDH1A1 431/4885
US-20160051523-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MGAM, MGAM2, BPGM KDM4E 1808/4885TDP1 4313/4885ALDH1A1 431/4885

“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.