SCHEMBL5583252

SCHEMBL5583252

O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1C(O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 4/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL16268196 0.79 GPR35 (0.48) TDP1MAPTCYP1A2ALDH1A1TSHR
SCHEMBL5583508 0.79 HCAR3 (0.43) MEN1KMT2AMAPTHTTCYP2C9
SCHEMBL2034070 0.76 VCAM1 (0.37) VCAM1TDP1MEN1KMT2AMAPT
SCHEMBL9523568 0.76 VCAM1 (0.54) VCAM1MEN1KMT2AMAPTHTT
SCHEMBL31067431 0.76 VCAM1 (0.54) VCAM1MEN1KMT2AMAPTHTT
SCHEMBL5583406 0.72 VCAM1 (0.46) VCAM1MEN1KMT2AMAPTHTT
SCHEMBL5583389 0.72 MAPK1 (0.49) MEN1KMT2AMAPTCYP3A4CYP2D6
SCHEMBL2037343 0.70 MCL1 (0.45) TDP1MEN1KMT2AMAPTHTT
SCHEMBL30946523 0.69 TDP1 (0.59) VCAM1TDP1ALDH1A1TSHRMAPK1
SCHEMBL672105 0.69 TDP1 (0.59) VCAM1TDP1ALDH1A1TSHRMAPK1

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 VCAM1 4454/4885TDP1 177/4885MEN1 2062/4885

“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.