SCHEMBL19396019

SCHEMBL19396019

CCc1ccc(CC[N+](=O)[O-])o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 12/20 0.38
GAA P10253 2/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.35
MAPT P10636 4/20 0.35
G6PC1 P35575 1/20 0.33
PKM P14618 2/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL17541761 0.90 LMNA (0.38) MEN1KMT2AALDH1A1NPSR1LMNA
SCHEMBL19395999 0.89 ALDH1A1 (0.40) ALDH1A1LMNAMAPTTSHRCYP1A2
SCHEMBL17541776 0.77 ALDH1A1 (0.38) KMT2AALDH1A1NPSR1LMNARAB9A
SCHEMBL19395995 0.76 ALOX5 (0.34) ALDH1A1LMNA
SCHEMBL19396002 0.75 KMT2A (0.34) MEN1KMT2AALDH1A1NPSR1LMNA
SCHEMBL45858 0.73
SCHEMBL510800 0.73 NPC1 (0.40) MEN1KMT2AALDH1A1MAPK1NPC1
SCHEMBL2056126 0.72 LMNA (0.61) MEN1KMT2AALDH1A1MAPK1NPSR1
SCHEMBL13274053 0.72 MEN1 (0.42) MEN1KMT2AALDH1A1GAAMAPK1
SCHEMBL17541753 0.72 BRAF (0.40) MEN1KMT2AALDH1A1LMNASMN1; SMN2

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-20170275236-A1 DIAMINE COMPOUNDS, DINITRO COMPOUNDS AND OTHER COMPOUNDS, AND METHODS OF PRODUCING THEREOF AND USES RELATED THEREOF MICROMIDAS, INC. (US) 2017-09-28 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-20170275236-A1 DIAMINE COMPOUNDS, DINITRO COMPOUNDS AND OTHER COMPOUNDS, AND METHODS OF PRODUCING THEREOF AND USES RELATED THEREOF DDC, DDT, DAO MEN1 1329/4885KMT2A 2511/4885ALDH1A1 733/4885

“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.