SCHEMBL5583508

SCHEMBL5583508

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.43
KDM4E B2RXH2 3/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 5/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.37
BDKRB1 P46663 2/20 0.35
BDKRB2 P30411 1/20 0.35
APP P05067 1/20 0.34
CYP2C9 P11712 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL5583252 0.79 VCAM1 (0.41) MAPTALDH1A1MAPK1NPC1LMNA
SCHEMBL2052797 0.77 HCAR3 (0.38) HCAR3KDM4EGLAMAPTALDH1A1
SCHEMBL16268196 0.76 GPR35 (0.48) MAPTALDH1A1L3MBTL1TSHR
SCHEMBL5583409 0.74 HCAR3 (0.47) HCAR3KDM4EGLAMAPTALDH1A1
SCHEMBL5583440 0.71 MAPT (0.51) HCAR3KDM4EGLAMAPTALDH1A1
SCHEMBL2037343 0.70 MCL1 (0.45) MAPTALDH1A1MAPK1LMNAL3MBTL1
SCHEMBL10805600 0.67 HCAR3 (0.51) HCAR3KDM4EGLAMAPTALDH1A1
SCHEMBL5583438 0.66 CYP1A2 (0.56) MAPTALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL31633570 0.66 CYP1A2 (0.56) MAPTALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL9452106 0.66 TDP1 (0.55) HCAR3KDM4EGLAMAPTALDH1A1

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
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.