SCHEMBL16896134

SCHEMBL16896134

CC(C)(C)OC(=O)N1CCCC(Nc2c[n+]([O-])ccc2[N+](=O)[O-])C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.44
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
MMP1 P03956 2/20 0.40
MMP9 P14780 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MMP13 P45452 1/20 0.40
BRD4 O60885 1/20 0.40
PARP1 P09874 1/20 0.39
FPR3 P25089 1/20 0.39
FPR2 P25090 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BTK Q06187 1/20 0.38
PIM1 P11309 2/20 0.38
PIM2 Q9P1W9 2/20 0.38

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
SCHEMBL3605970 0.88 ALDH1A1 (0.50) ALDH1A1MAPTLMNA
SCHEMBL744262 0.86 USP30 (0.54) USP30ALDH1A1MAPTLMNAHDAC4
SCHEMBL744261 0.86 USP30 (0.54) USP30ALDH1A1MAPTLMNAHDAC4
SCHEMBL25273382 0.83 FPR2 (0.47) USP30ALDH1A1MAPTLMNAMMP1
SCHEMBL19190246 0.83 MEN1 (0.46) USP30ALDH1A1MAPTLMNAHDAC4
SCHEMBL30461757 0.83 FPR2 (0.47) USP30ALDH1A1MAPTLMNAMMP1
SCHEMBL16791245 0.82 USP30 (0.49) USP30ALDH1A1MAPTLMNAHDAC4
SCHEMBL16896124 0.82 USP30 (0.49) USP30ALDH1A1MAPTLMNAHDAC4
SCHEMBL28694485 0.81 MAPT (0.49) USP30ALDH1A1MAPTLMNAPARP1
SCHEMBL29467204 0.81 MAPT (0.49) USP30ALDH1A1MAPTLMNAPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3257848-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR ACTIVITY Novartis AG (CH) 2017-12-20 EP disclosed
EP-2773635-B1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR ACTIVITY NOVARTIS AG (CH) 2017-08-02 EP disclosed
US-9440957-B2 Compounds and compositions for modulating EGFR Activity NOVARTIS AG (CH) 2016-09-13 US disclosed
US-9440957-B2 Compounds and compositions for modulating EGFR Activity NOVARTIS AG (CH) 2016-09-13 US disclosed
US-20150197505-A1 Compounds and Compositions for Modulating EGFR Activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2015-07-16 US disclosed
US-20150197505-A1 Compounds and Compositions for Modulating EGFR Activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2015-07-16 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-20150197505-A1 Compounds and Compositions for Modulating EGFR Activity EGFR, ERBB2, ERBB3 USP30 2066/4885ALDH1A1 4037/4885MAPT 2924/4885

“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.