SCHEMBL17094039

SCHEMBL17094039

CC(C)(C)N(C(=O)O)C(CCNCc1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MITF O75030 1/20 0.36
DPP7 Q9UHL4 2/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
MEN1 O00255 4/20 0.34
ATM Q13315 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH7 P40394 1/20 0.33
CCR6 P51684 1/20 0.33
PAX8 Q06710 1/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL17094038 1.00 KMT2A (0.36) KMT2AALDH1A1GAAKDM4EMITF
SCHEMBL17094299 0.83 CYP3A4 (0.33) HTTMAPT
SCHEMBL17094302 0.83 CYP3A4 (0.33) HTTMAPT
SCHEMBL17093707 0.82 CYP3A4 (0.33) HTT
SCHEMBL17093704 0.82 CYP3A4 (0.33) HTT
SCHEMBL19285811 0.81 HTT (0.32) KMT2AALDH1A1MEN1HTT
SCHEMBL17093891 0.81 HTT (0.32) KMT2AALDH1A1MEN1HTT
SCHEMBL15405725 0.81 CYP3A4 (0.32) HTT
SCHEMBL17094028 0.80 HTT (0.33) KMT2AMEN1HTT
SCHEMBL17094030 0.80 HTT (0.33) KMT2AMEN1HTT

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 KMT2A 2273/4885ALDH1A1 431/4885GAA 350/4885

“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.