SCHEMBL5553285

SCHEMBL5553285

CC(C)CC(C)NC(=O)c1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.65
HDAC1 Q13547 2/20 0.54
HDAC6 Q9UBN7 1/20 0.54
THRB P10828 1/20 0.54
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
TP53 P04637 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
ADAM17 P78536 1/20 0.52
MLYCD O95822 1/20 0.51
ALDH1A1 P00352 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ECE1 P42892 1/20 0.51
HIF1A Q16665 1/20 0.50
HTT P42858 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC2 Q92769 1/20 0.49
ROCK2 O75116 1/20 0.49

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
SCHEMBL30557508 0.86 LMNA (0.67) LMNAHDAC1HDAC6THRBNPC1
SCHEMBL24567733 0.86 LMNA (0.67) LMNAHDAC1HDAC6THRBNPC1
SCHEMBL21467402 0.86 LMNA (0.67) LMNAHDAC1HDAC6THRBNPC1
SCHEMBL28115691 0.86 LMNA (0.67) LMNAHDAC1HDAC6THRBNPC1
SCHEMBL8864894 0.85 LMNA (0.55) LMNAHDAC1HDAC6THRBNPC1
SCHEMBL8864885 0.85 LMNA (0.55) LMNAHDAC1HDAC6THRBNPC1
SCHEMBL10894691 0.85 LMNA (0.65) LMNAHDAC1HDAC6THRBNPC1
SCHEMBL2228194 0.84 LMNA (0.57) LMNAHDAC1HDAC6THRBNPC1
SCHEMBL9828179 0.84 LMNA (0.57) LMNAHDAC1HDAC6THRBNPC1
SCHEMBL24298437 0.84 LMNA (0.54) LMNAHDAC1HDAC6THRBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382193-B2 Processes for forming amide bonds and compositions related thereto EMORY UNIVERSITY (US) 2016-07-05 US disclosed
US-9382193-B2 Processes for forming amide bonds and compositions related thereto EMORY UNIVERSITY (US) 2016-07-05 US disclosed
US-20150315129-A1 PROCESSES FOR FORMING AMIDE BONDS AND COMPOSITIONS RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 US disclosed
US-20150315129-A1 PROCESSES FOR FORMING AMIDE BONDS AND COMPOSITIONS RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 US disclosed
US-8921599-B2 Processes for forming amide bonds and compositions related thereto EMORY UNIVERSITY (US) 2014-12-30 US disclosed
US-8921599-B2 Processes for forming amide bonds and compositions related thereto EMORY UNIVERSITY (US) 2014-12-30 US disclosed
US-20120107902-A1 Processes For Forming Amide Bonds And Compositions Related Thereto EMORY UNIVERSITY (US) 2012-05-03 US disclosed
US-20120107902-A1 Processes For Forming Amide Bonds And Compositions Related Thereto EMORY UNIVERSITY (US) 2012-05-03 US disclosed
EP-1763350-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-03-21 EP disclosed
WO-2006014168-A1 NICOTINAMIDE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-02-09 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 (2 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-20150315129-A1 PROCESSES FOR FORMING AMIDE BONDS AND COMPOSITIONS RELATED THERETO TMT1A, LPO, GSTO1 LMNA 3649/4885HDAC1 2397/4885HDAC6 1622/4885
US-20120107902-A1 Processes For Forming Amide Bonds And Compositions Related Thereto TMT1A, LPO, GSTO1 LMNA 3649/4885HDAC1 2397/4885HDAC6 1622/4885

“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.