SCHEMBL5583271

SCHEMBL5583271

O=C(OC(c1ccccc1)c1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
TSHR P16473 2/20 0.48
ALDH1A1 P00352 8/20 0.46
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
THRB P10828 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL6896387 0.88 ALDH1A1 (0.46) CYP1A2TSHRALDH1A1NPSR1MEN1
SCHEMBL5583481 0.88 TSHR (0.40) CYP1A2TSHRALDH1A1NPSR1MEN1
SCHEMBL2034278 0.86 MAPT (0.41) CYP1A2TSHRALDH1A1NPSR1MEN1
SCHEMBL2029916 0.85 CYP1A2 (0.37) CYP1A2TSHRALDH1A1NPSR1MEN1
SCHEMBL2035185 0.85 CYP1A2 (0.39) CYP1A2TSHRALDH1A1NPSR1MEN1
SCHEMBL5583431 0.85 ALDH1A1 (0.43) ALDH1A1NPSR1MEN1KMT2AKDM4E
SCHEMBL3291004 0.85 CYP1A2 (0.50) CYP1A2TSHRALDH1A1NPSR1MEN1
SCHEMBL6894341 0.84 CYP1A2 (0.48) CYP1A2TSHRALDH1A1MEN1KMT2A
SCHEMBL2029343 0.83 MAPT (0.46) ALDH1A1NPSR1MEN1KMT2AKDM4E
SCHEMBL2034251 0.82 MEN1 (0.36) CYP1A2TSHRALDH1A1NPSR1MEN1

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 CYP1A2 4649/4885TSHR 1938/4885ALDH1A1 2920/4885

“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.