SCHEMBL5583406

SCHEMBL5583406

O=[N+]([O-])c1cc([N+](=O)[O-])c(C(O)c2ccccc2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CYP3A4 P08684 3/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
GAA P10253 1/20 0.43
CXCR2 P25025 2/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 3/20 0.41
SLC6A2 P23975 1/20 0.40

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
SCHEMBL5583389 0.82 MAPK1 (0.49) MEN1KMT2ACYP3A4MAPTCYP2D6
SCHEMBL31067431 0.80 VCAM1 (0.54) VCAM1MEN1KMT2ACYP3A4MAPT
SCHEMBL9523568 0.80 VCAM1 (0.54) VCAM1MEN1KMT2ACYP3A4MAPT
SCHEMBL5583409 0.78 HCAR3 (0.47) MEN1KMT2AMAPTHTTCYP1A2
SCHEMBL12419055 0.78 ALDH1A1 (0.39) MEN1KMT2AMAPTHTTCYP2D6
SCHEMBL5583438 0.77 CYP1A2 (0.56) MEN1KMT2ACYP3A4MAPTCYP2D6
SCHEMBL31633570 0.77 CYP1A2 (0.56) MEN1KMT2ACYP3A4MAPTCYP2D6
SCHEMBL9682909 0.77 CRHBP (0.42) MEN1KMT2AMAPTCYP1A2NPSR1
SCHEMBL8744236 0.77 CRHBP (0.52) MEN1KMT2ACYP3A4MAPTCYP2D6
SCHEMBL2188552 0.77 ALDH1A1 (0.49) MEN1KMT2ACYP3A4MAPTHTT

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 4454/4885MEN1 2062/4885KMT2A 1259/4885

“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.