SCHEMBL10045693

SCHEMBL10045693

COC(=O)CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 2/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GFER P55789 1/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
PTPN1 P18031 2/20 0.39
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 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
SCHEMBL10045698 0.83 PTPN1 (0.34) MEN1KMT2AHPGDGAAALDH1A1
SCHEMBL14944828 0.83 MMP8 (0.35) KMT2AHPGDGAAALDH1A1KDM4E
SCHEMBL7360766 0.73 CYP4F2 (0.59) KMT2AHPGDGAAALDH1A1TSHR
SCHEMBL10045689 0.73 KMT2A (0.54) MEN1KMT2AHPGDGAAALDH1A1
SCHEMBL2218290 0.71 KMT2A (0.59) MEN1KMT2AHPGDGAAALDH1A1
SCHEMBL10958880 0.70 NR1D1 (0.51) KMT2AHPGDGAAALDH1A1KDM4E
SCHEMBL8142192 0.70 ALDH1A1 (0.50) HPGDGAAALDH1A1TSHRMAPK1
SCHEMBL10175567 0.69 ALDH1A1 (0.42) MEN1KMT2AHPGDGAAALDH1A1
SCHEMBL3541224 0.68 ALDH1A1 (0.48) MEN1KMT2AHPGDGAAALDH1A1
SCHEMBL9949291 0.68 MAPT (0.47) MEN1KMT2AHPGDGAAALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595613-B1 COMPOUNDS FOR USE IN A METHOD OF PREVENTING OR TREATING VIRAL INFECTION US HEALTH (US) 2019-01-09 EP disclosed
US-20130123344-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2013-05-16 US disclosed
WO-2012012627-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-01-26 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-20130123344-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION KDM1B, KDM1A, KDM2A MEN1 3013/4885KMT2A 37/4885HPGD 2186/4885

“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.