SCHEMBL5583374

SCHEMBL5583374

O=Cc1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.55
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
ALOX15 P16050 1/20 0.53
PRKDC P78527 1/20 0.53
HSD17B10 Q99714 1/20 0.53
KDM4A O75164 1/20 0.47
KDM4B O94953 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
ERN1 O75460 2/20 0.43
GPR35 Q9HC97 2/20 0.41
TDP1 Q9NUW8 1/20 0.39
MERTK Q12866 1/20 0.39

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
SCHEMBL4988910 0.90 HSD17B10 (0.55) VCAM1ALDH1A1CYP3A4KDM4EMAPT
SCHEMBL9789906 0.88 VCAM1 (0.55) VCAM1ALDH1A1CYP3A4KDM4EMAPT
SCHEMBL9215364 0.85 ALDH1A1 (0.62) VCAM1ALDH1A1CYP3A4KDM4EMAPT
SCHEMBL537580 0.84 VCAM1 (0.55) VCAM1ALDH1A1CYP3A4KDM4EMAPT
SCHEMBL7506663 0.83 ALDH1A1 (0.49) VCAM1ALDH1A1CYP3A4KDM4EMAPT
SCHEMBL8807505 0.83 MAPT (0.53) VCAM1ALDH1A1CYP3A4KDM4EMAPT
SCHEMBL22289051 0.83 VCAM1 (0.50) VCAM1ALDH1A1CYP3A4KDM4EMAPT
SCHEMBL18370780 0.83 ALDH1A1 (0.49) VCAM1ALDH1A1CYP3A4KDM4EMAPT
SCHEMBL446013 0.81 ALDH1A1 (0.50) VCAM1ALDH1A1CYP3A4KDM4EMAPT
SCHEMBL359519 0.80 TSHR (0.60) VCAM1ALDH1A1CYP3A4TSHRMAPK1

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 4454/4885ALDH1A1 2920/4885CYP3A4 4010/4885

“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.