SCHEMBL2052797

SCHEMBL2052797

CN(C)c1ccc([N+](=O)[O-])c(C(OC(=O)C(Cl)(Cl)Cl)c2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.38
KDM4E B2RXH2 4/20 0.37
GLA P06280 1/20 0.37
ALDH1A1 P00352 7/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 1/20 0.32
HTT P42858 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
OPRK1 P41145 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL2032596 0.89 HCAR3 (0.41) HCAR3KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL2034070 0.84 VCAM1 (0.37) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL2034944 0.84 MAPT (0.33) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL2029853 0.84 ALDH1A1 (0.34) KDM4EALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL2034068 0.84 MEN1 (0.37) KDM4EALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL5583481 0.83 TSHR (0.40) ALDH1A1MAPTL3MBTL1NPSR1HTT
SCHEMBL2028581 0.83 TDP1 (0.37) KDM4EALDH1A1MAPTLMNAMAPK1
SCHEMBL2028578 0.80 HCAR3 (0.42) HCAR3ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL5583455 0.80 HCAR3 (0.41) HCAR3KDM4EGLAALDH1A1MAPT
SCHEMBL2034196 0.79 FBP1 (0.40) KDM4EALDH1A1MAPTSMN1; SMN2NPC1

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-7956011-B2 Materials and methods for the photodirected synthesis of oligonucleotide arrays THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2011-06-07 US claimed
US-7301049-B2 Photolabile esters and their uses THE INSTITUTE OF CANCER RESEARCH (GB) 2007-11-27 US disclosed
US-20040242653-A1 Photolabile esters and their uses THE INSTITUTE OF CANCER RESEARCH (GB) 2004-12-02 US disclosed
EP-1399412-A1 PHOTOLABILE ESTERS AND THEIR USES The Institute of Cancer Research (GB) 2004-03-24 EP disclosed
WO-2003000644-A1 PHOTOLABILE ESTERS AND THEIR USES THE INSTITUTE OF CANCER RESEARCH (GB) 2003-01-03 WO 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-20040242653-A1 Photolabile esters and their uses DIMT1, DCTD, DTYMK HCAR3 3671/4885KDM4E 853/4885GLA 1697/4885

“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.