SCHEMBL5583440

SCHEMBL5583440

CN(C)c1ccc([N+](=O)[O-])c(C(O)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
NPSR1 Q6W5P4 1/20 0.44
PTGS2 P35354 5/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
PHLPP2 Q6ZVD8 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACHE P22303 3/20 0.38
BDKRB1 P46663 2/20 0.38
BDKRB2 P30411 1/20 0.38
PLG P00747 1/20 0.38
HCAR3 P49019 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
SCHEMBL2499076 0.81 MAPT (0.58) MAPTNPSR1PTGS2ALDH1A1KDM4E
SCHEMBL5583409 0.81 HCAR3 (0.47) MAPTALDH1A1KDM4ECYP1A2MEN1
SCHEMBL5583389 0.78 MAPK1 (0.49) MAPTNPSR1ALDH1A1CYP1A2MEN1
SCHEMBL12919847 0.77 MAPT (0.62) MAPTNPSR1PTGS2KDM4ECYP1A2
SCHEMBL31633570 0.77 CYP1A2 (0.56) MAPTALDH1A1CYP1A2MEN1CYP2C9
SCHEMBL5583438 0.77 CYP1A2 (0.56) MAPTALDH1A1CYP1A2MEN1CYP2C9
SCHEMBL5583275 0.76 MAPT (0.41) MAPTNPSR1PTGS2ALDH1A1KDM4E
SCHEMBL2188552 0.73 ALDH1A1 (0.49) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL12799419 0.73 MEN1 (0.46) MAPTNPSR1ALDH1A1KDM4EMEN1
SCHEMBL5583406 0.72 VCAM1 (0.46) MAPTNPSR1ALDH1A1CYP1A2MEN1

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 MAPT 949/4885NPSR1 3149/4885PTGS2 4664/4885

“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.