SCHEMBL5583401

SCHEMBL5583401

O=Cc1c([N+](=O)[O-])ccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 8/20 0.51
TDP1 Q9NUW8 2/20 0.50
TSHR P16473 3/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 3/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
KDM4A O75164 1/20 0.38
KDM4B O94953 1/20 0.38
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 1/20 0.38
TXNRD2 Q9NNW7 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL11049330 0.86 VCAM1 (0.47) VCAM1TDP1TSHRMAPK1ALDH1A1
SCHEMBL6901152 0.84 TXNRD1 (0.46) VCAM1TDP1TSHRMAPK1TXNRD1
SCHEMBL272834 0.83 TDP1 (0.62) VCAM1TDP1TSHRMAPK1ALDH1A1
SCHEMBL6477389 0.80 VCAM1 (0.42) VCAM1TDP1TSHRALDH1A1MEN1
SCHEMBL7272261 0.80 ALDH1A1 (0.42) VCAM1TDP1TSHRMAPK1ALDH1A1
SCHEMBL1115822 0.79 TDP1 (0.62) VCAM1TDP1TSHRMAPK1ALDH1A1
SCHEMBL30946523 0.78 TDP1 (0.59) VCAM1TDP1TSHRMAPK1ALDH1A1
SCHEMBL672105 0.78 TDP1 (0.59) VCAM1TDP1TSHRMAPK1ALDH1A1
SCHEMBL16838198 0.78 GPR35 (0.52) TDP1TSHRMAPK1ALDH1A1CA1
SCHEMBL2145586 0.76 TDP1 (0.69) VCAM1TDP1TSHRMAPK1ALDH1A1

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 177/4885TSHR 1938/4885

“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.