SCHEMBL14944830

SCHEMBL14944830

CC(=O)CN(Cc1cccc(N(C)C)c1)C(=O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 2/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
AOC3 Q16853 2/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ESR1 P03372 1/20 0.39
POLB P06746 1/20 0.39
NR4A1 P22736 1/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
CNR1 P21554 1/20 0.38
TSHR P16473 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
SCHEMBL10045687 0.90 KMT2A (0.55) KMT2AL3MBTL1MEN1HDAC1HDAC6
SCHEMBL3825118 0.74 HDAC1 (0.51) KMT2AL3MBTL1MEN1HDAC1HDAC6
Hydrochloric Acid SCHEMBL7259023 0.72 HDAC1 (0.50) KMT2AL3MBTL1MEN1HDAC1HDAC6
SCHEMBL4553894 0.72 KMT2A (0.56) KMT2AL3MBTL1MEN1HDAC1HDAC6
SCHEMBL10045689 0.72 KMT2A (0.54) KMT2AL3MBTL1MEN1HDAC1HDAC6
SCHEMBL4593938 0.72 ALDH1A1 (0.49) KMT2AL3MBTL1MEN1HDAC1HDAC6
SCHEMBL7322435 0.71 ALDH1A1 (0.56) KMT2AL3MBTL1MEN1HDAC1HDAC6
SCHEMBL2553049 0.71 KMT2A (0.54) KMT2AL3MBTL1MEN1HDAC1HDAC6
SCHEMBL14944826 0.70 MAPT (0.38) KMT2AHDAC1HDAC6ALDH1A1GAA
SCHEMBL11287915 0.70 KMT2A (0.47) KMT2AL3MBTL1MEN1HDAC1HDAC6

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-8871789-B2 Method of preventing or treating viral infection THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-10-28 US 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

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 KMT2A 37/4885L3MBTL1 274/4885MEN1 3013/4885

“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.