SCHEMBL16896124

SCHEMBL16896124

Cc1ccc(NC2CCCN(C(=O)OC(C)(C)C)C2)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.49
LMNA P02545 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HCAR3 P49019 3/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PIM1 P11309 2/20 0.41
PIM2 Q9P1W9 2/20 0.41
KDM4E B2RXH2 1/20 0.41
BRD4 O60885 1/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL16791245 1.00 USP30 (0.49) USP30LMNANPSR1HCAR3ALDH1A1
SCHEMBL16901716 0.97 HCAR3 (0.47) USP30LMNANPSR1HCAR3ALDH1A1
SCHEMBL3094959 0.88 ALDH1A1 (0.55) LMNANPSR1HCAR3ALDH1A1MAPT
SCHEMBL16895791 0.88 HCAR3 (0.51) USP30LMNAHCAR3ALDH1A1MAPT
SCHEMBL15575457 0.88 USP30 (0.47) USP30LMNANPSR1HCAR3ALDH1A1
SCHEMBL16895794 0.88 HCAR3 (0.51) USP30LMNAHCAR3ALDH1A1MAPT
SCHEMBL744261 0.87 USP30 (0.54) USP30LMNAALDH1A1MAPTHDAC4
SCHEMBL744262 0.87 USP30 (0.54) USP30LMNAALDH1A1MAPTHDAC4
SCHEMBL4746977 0.86 LMNA (0.47) USP30LMNANPSR1ALDH1A1MAPT
SCHEMBL18262168 0.86 HCAR3 (0.54) LMNANPSR1HCAR3ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180153899-A1 PHARMACEUTICAL COMPOSITIONS NOVARTIS PHARMA AG (CH) 2018-06-07 US disclosed
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-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 (2 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 2066/4885LMNA 4467/4885NPSR1 1502/4885
US-20180153899-A1 PHARMACEUTICAL COMPOSITIONS NR3C2, PTMS, CYP2C19 USP30 2254/4885LMNA 2652/4885NPSR1 805/4885

“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.