SCHEMBL5583454

SCHEMBL5583454

CN(C)c1ccc(N=O)c(C=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.48
MAPK1 P28482 5/20 0.48
HSD17B10 Q99714 4/20 0.48
TSHR P16473 4/20 0.48
TP53 P04637 2/20 0.48
HIF1A Q16665 1/20 0.48
CYP2A6 P11509 1/20 0.44
CYP2A13 Q16696 1/20 0.44
TDP1 Q9NUW8 5/20 0.39
KDM4E B2RXH2 4/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
ALOX15 P16050 2/20 0.39
THRB P10828 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 2/20 0.38
GLA P06280 1/20 0.36

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
SCHEMBL15255241 0.79 NOX1 (0.36) ALDH1A1MAPK1HSD17B10TSHRTP53
SCHEMBL13609382 0.76 SRC (0.46) ALDH1A1HSD17B10TSHRCYP2A6KDM4E
SCHEMBL145777 0.75 ALDH1A1 (0.48) ALDH1A1MAPK1HSD17B10TSHRTP53
SCHEMBL8964348 0.75 CYP2A6 (0.48) ALDH1A1MAPK1HSD17B10TSHRTP53
SCHEMBL3176178 0.73 CYP2A6 (0.47) ALDH1A1MAPK1HSD17B10TSHRTP53
SCHEMBL144585 0.73 ALDH1A1 (0.47) ALDH1A1MAPK1HSD17B10TSHRTP53
SCHEMBL9756582 0.73 CYP2A6 (0.47) ALDH1A1MAPK1HSD17B10TSHRTP53
SCHEMBL90533 0.73 KCNH2 (0.50) ALDH1A1MAPK1HSD17B10TSHRTP53
SCHEMBL4401250 0.73 ERN1 (0.52) CYP2A6CYP2A13
SCHEMBL14051144 0.73 ALDH1A1 (0.47) ALDH1A1MAPK1HSD17B10TSHRCYP2A6

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 ALDH1A1 2920/4885MAPK1 2819/4885HSD17B10 4462/4885

“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.