SCHEMBL16449786

SCHEMBL16449786

CC(C)C(=O)[C@@H](N)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
DPP4 P27487 3/20 0.48
DPP7 Q9UHL4 3/20 0.48
MMP2 P08253 2/20 0.48
FAP Q12884 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.47
DPP8 Q6V1X1 1/20 0.47
DPP9 Q86TI2 1/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MC4R P32245 1/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.45
PTPRA P18433 1/20 0.44
IDO1 P14902 1/20 0.44
MAOB P27338 1/20 0.43

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
SCHEMBL14524001 0.85 LOXL2 (0.52) KMT2AMEN1DPP4DPP7MMP2
SCHEMBL16131783 0.85 LOXL2 (0.52) KMT2AMEN1DPP4DPP7MMP2
SCHEMBL8986807 0.83 LOXL2 (0.62) KMT2AMEN1LOXL2IDO1KCNJ1
SCHEMBL11601065 0.83 LOXL2 (0.62) KMT2AMEN1LOXL2IDO1KCNJ1
SCHEMBL5264530 0.83 LOXL2 (0.62) KMT2AMEN1LOXL2IDO1KCNJ1
SCHEMBL19361684 0.83 KMT2A (0.50) KMT2AMEN1LOXL2NPC1TP53
SCHEMBL4363557 0.82 LOXL2 (0.52) DPP4DPP7MMP2FAPLOXL2
SCHEMBL14310844 0.82 LOXL2 (0.52) DPP4DPP7MMP2FAPLOXL2
SCHEMBL26444 0.82 SLC7A5 (0.61) DPP4DPP7MMP2LOXL2DPP8
SCHEMBL437181 0.82 SLC7A5 (0.61) DPP4DPP7MMP2LOXL2DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447136-B2 Semisynthetic derivatives of Nystatin A1 BLIRT S.A. (PL) 2016-09-20 US disclosed
US-20150045316-A1 SEMISYNTHETIC DERIVATIVES OF NYSTATIN A1 BLIRT S.A. (PL) 2015-02-12 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-20150045316-A1 SEMISYNTHETIC DERIVATIVES OF NYSTATIN A1 NPC1, NPC1L1, LSS KMT2A 3736/4885MEN1 130/4885DPP4 2529/4885

“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.