SCHEMBL6954094

SCHEMBL6954094

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.61
APP P05067 1/20 0.53
MAPK1 P28482 1/20 0.53
MAPT P10636 2/20 0.51
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PTGS2 P35354 2/20 0.50
ACHE P22303 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PTGS1 P23219 1/20 0.50
NOS1 P29475 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
USP18 Q9UMW8 1/20 0.47
UCHL5 Q9Y5K5 1/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47

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
SCHEMBL9850705 0.86 FBP1 (0.59) FBP1APPMAPK1MAPTKDM4E
SCHEMBL7636924 0.84 FBP1 (0.58) FBP1APPMAPK1MAPTKDM4E
SCHEMBL6469695 0.84 FBP1 (0.67) FBP1APPMAPK1MAPTKDM4E
SCHEMBL6469686 0.84 FBP1 (0.67) FBP1APPMAPK1MAPTKDM4E
SCHEMBL3855269 0.84 FBP1 (0.58) FBP1APPMAPK1MAPTKDM4E
SCHEMBL7636929 0.84 FBP1 (0.58) FBP1APPMAPK1MAPTKDM4E
SCHEMBL3855268 0.84 FBP1 (0.58) FBP1APPMAPK1MAPTKDM4E
SCHEMBL6469694 0.84 FBP1 (0.67) FBP1APPMAPK1MAPTKDM4E
SCHEMBL7245950 0.82 GLO1 (0.66) FBP1APPMAPK1MAPTKDM4E
SCHEMBL3232414 0.82 FBP1 (0.56) FBP1APPMAPK1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108690005-A The chrysamides B synthetic methods of natural products containing nitro and its diastereoisomer-compound 兰州大学 2018-10-23 CN disclosed
US-20170057953-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION 2017-03-02 US disclosed
US-20170057953-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION 2017-03-02 US disclosed
US-9334263-B2 Compositions useful for treating disorders related to kit BLUEPRINT MEDICINES CORPORATION (US) 2016-05-10 US disclosed
US-9334263-B2 Compositions useful for treating disorders related to kit BLUEPRINT MEDICINES CORPORATION (US) 2016-05-10 US disclosed
US-20150111857-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION (US) 2015-04-23 US disclosed
US-20150111857-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION (US) 2015-04-23 US disclosed
WO-2015058129-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT BLUEPRINT MEDICINES CORPORATION (US) 2015-04-23 WO disclosed
EP-0758328-B1 ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING BTG INT LTD (GB) 2003-07-16 EP disclosed
EP-0667864-B1 TRICYCLIC COMPOUNDS WITH PHARMACEUTICAL ACTIVITY ZENECA LTD (GB) 1997-09-24 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 (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-20170057953-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT KIT, PRKACA, CKMT1A; CKMT1B FBP1 417/4885APP 4550/4885MAPK1 3371/4885
US-20150111857-A1 COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO KIT KIT, PRKACA, CKMT1A; CKMT1B FBP1 417/4885APP 4550/4885MAPK1 3371/4885

“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.