SCHEMBL5583409

SCHEMBL5583409

CN(C)c1cc(C(O)c2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.47
KDM4E B2RXH2 3/20 0.45
GLA P06280 1/20 0.45
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2C9 P11712 1/20 0.40
BDKRB1 P46663 2/20 0.38
BDKRB2 P30411 1/20 0.38
APP P05067 1/20 0.37
CA12 O43570 1/20 0.37

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
SCHEMBL5583440 0.81 MAPT (0.51) HCAR3KDM4EGLAALDH1A1MAPT
SCHEMBL5583406 0.78 VCAM1 (0.46) ALDH1A1MAPTMAPK1SMN1; SMN2NPC1
SCHEMBL5583455 0.76 HCAR3 (0.41) HCAR3KDM4EGLAALDH1A1MAPT
SCHEMBL2188552 0.76 ALDH1A1 (0.49) KDM4EALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL12419055 0.74 ALDH1A1 (0.39) KDM4EALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL5583508 0.74 HCAR3 (0.43) HCAR3KDM4EGLAALDH1A1MAPT
SCHEMBL8045736 0.74 HCAR3 (0.43) HCAR3KDM4EGLAALDH1A1MAPT
SCHEMBL5583438 0.74 CYP1A2 (0.56) ALDH1A1MAPTMAPK1L3MBTL1KMT2A
SCHEMBL31633570 0.74 CYP1A2 (0.56) ALDH1A1MAPTMAPK1L3MBTL1KMT2A
SCHEMBL8744236 0.74 CRHBP (0.52) ALDH1A1MAPTMAPK1SMN1; SMN2LMNA

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 2 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

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 HCAR3 3671/4885KDM4E 853/4885GLA 1697/4885

“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.