SCHEMBL1190372

SCHEMBL1190372

COC(=O)COc1ncc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 2/20 0.41
CYP3A4 P08684 2/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL1191402 0.83 PTGS2 (0.40) LMNAMAPTALDH1A1
SCHEMBL5495999 0.83 GAA (0.43) LMNAMAPK1MEN1KMT2AMAPT
SCHEMBL1190428 0.82 SMN1; SMN2 (0.46) LMNAL3MBTL1MEN1KMT2AMAPT
SCHEMBL18337880 0.81 ALDH1A1 (0.47) LMNAMAPK1L3MBTL1MAPTTDP1
SCHEMBL29472069 0.81 ALDH1A1 (0.47) LMNAMAPK1L3MBTL1MAPTTDP1
SCHEMBL31339552 0.81 PTGS2 (0.40) LMNAMAPK1MAPTSMN1; SMN2GAA
SCHEMBL15716224 0.81 GAA (0.49) LMNAMAPK1MEN1KMT2AMAPT
SCHEMBL1191026 0.81 PTGS2 (0.40) LMNAMAPK1MAPTSMN1; SMN2GAA
SCHEMBL5496003 0.80 MEN1 (0.42) LMNAMAPK1MEN1KMT2AMAPT
SCHEMBL15889718 0.80 MAPT (0.40) LMNAMAPK1L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2266989-B1 HETEROCYCLIC DERIVATIVES C & C RES LAB (KR) 2015-09-02 EP disclosed
US-8394792-B2 Heterocyclic derivatives C&C RESEARCH LABORATORIES (KR) 2013-03-12 US disclosed
US-20110028467-A1 HETEROCYCLIC DERIVATIVES C&C RESEARCH LABORATORIES (KR) 2011-02-03 US disclosed
EP-2266989-A2 HETEROCYCLIC DERIVATIVES C&c Research Laboratories (KR) 2010-12-29 EP 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-20110028467-A1 HETEROCYCLIC DERIVATIVES XDH, NUDT1, UGDH LMNA 1438/4885MAPK1 4035/4885L3MBTL1 4320/4885

“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.