SCHEMBL17094094

SCHEMBL17094094

CC(C)(C)N(Cc1cn[nH]n1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.41
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NAMPT P43490 1/20 0.32
LMNA P02545 2/20 0.32
OPRM1 P35372 2/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
OPRL1 P41146 1/20 0.31
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL17209686 0.78 KDM4E (0.50) ALDH1A1TDP1KDM4ETRPM8KEAP1
SCHEMBL22366438 0.71 MEN1 (0.39) ALDH1A1TDP1TRPM8MEN1KMT2A
SCHEMBL18546474 0.70 SIRT6 (0.39) ALDH1A1TDP1MEN1KMT2AHTT
SCHEMBL22657003 0.70 MEN1 (0.35) ALDH1A1TDP1MEN1KMT2AHTT
SCHEMBL946099 0.70 MEN1 (0.41) ALDH1A1TDP1MEN1KMT2AHTT
SCHEMBL17094558 0.69 KDM6B (0.44) ALDH1A1KEAP1NFE2L2HTTL3MBTL1
SCHEMBL17094136 0.69 ALDH1A1 (0.34) ALDH1A1TDP1MEN1KMT2AHTT
SCHEMBL2099348 0.69 ALDH1A1 (0.41) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL17094223 0.68
SCHEMBL22366419 0.68 CYP1A2 (0.49) ALDH1A1TDP1KDM4ETRPM8MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150266867-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS AG (CH) 2015-09-24 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 (1 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-20150266867-A1 MONOBACTAM ORGANIC COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS MGAM, MGAM2, BPGM ALDH1A1 431/4885TDP1 4313/4885KDM4E 1808/4885

“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.