SCHEMBL14769216

SCHEMBL14769216

COC(=O)C(C)NP(=O)(Cc1ccccn1)NC(C)C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 3/20 0.43
HDAC6 Q9UBN7 4/20 0.43
HDAC1 Q13547 2/20 0.43
FDPS P14324 1/20 0.42
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PARP10 Q53GL7 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PGR P06401 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41

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
SCHEMBL9110496 0.77 ALDH1A1 (0.54) MEN1KMT2AALDH1A1HDAC6HDAC1
SCHEMBL8310726 0.77 ALDH1A1 (0.54) MEN1KMT2AALDH1A1HDAC6HDAC1
SCHEMBL5966574 0.71 LMNA (0.49) MEN1KMT2AALDH1A1HDAC6HDAC1
SCHEMBL8431602 0.70 MEN1 (0.49) MEN1KMT2AALDH1A1HDAC6FDPS
SCHEMBL14769176 0.70 ALDH1A1 (0.43) MEN1KMT2AALDH1A1FDPSLMNA
SCHEMBL19699148 0.70 HDAC6 (0.53) MEN1KMT2AALDH1A1HDAC6HDAC1
SCHEMBL30099741 0.70 HDAC6 (0.53) MEN1KMT2AALDH1A1HDAC6HDAC1
SCHEMBL10724996 0.70 HDAC6 (0.53) MEN1KMT2AALDH1A1HDAC6HDAC1
SCHEMBL28674012 0.70 KDM4E (0.55) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL2058837 0.70 HDAC6 (0.53) MEN1KMT2AALDH1A1HDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130065857-A1 NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY BAYLOR COLLEGE OF MEDICINE (US) 2013-03-14 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-20130065857-A1 NOVEL DXR INHIBITORS FOR ANTIMICROBIAL THERAPY DDX18, FPR1, DCXR MEN1 4728/4885KMT2A 3578/4885ALDH1A1 4044/4885

“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.