SCHEMBL10143997

SCHEMBL10143997

CCOC(=O)c1nc(NC(=O)c2ccccc2)cn1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
GAA P10253 1/20 0.53
ADORA2A P29274 6/20 0.53
ADORA1 P30542 5/20 0.53
ADORA3 P0DMS8 5/20 0.50
HTT P42858 1/20 0.50
RPS6KA3 P51812 1/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PDE4B Q07343 1/20 0.44
CSNK1D P48730 1/20 0.44

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
SCHEMBL13845690 0.83 RPS6KA3 (0.50) SMN1; SMN2NPC1RAB9ARPS6KA3ALDH1A1
SCHEMBL13845779 0.80 RPS6KA3 (0.48) SMN1; SMN2NPC1RAB9AGAAADORA2A
SCHEMBL14072191 0.80 RPS6KA3 (0.47) SMN1; SMN2NPC1RAB9AADORA2AADORA1
SCHEMBL13845752 0.80 RPS6KA3 (0.46) SMN1; SMN2NPC1RAB9AGAAHTT
SCHEMBL14543365 0.79 RPS6KA3 (0.51) SMN1; SMN2NPC1RAB9AADORA2AADORA3
SCHEMBL14072168 0.79 RPS6KA3 (0.48) NPC1RAB9ARPS6KA3ALDH1A1HPGD
SCHEMBL23745118 0.79 RPS6KA3 (0.43) SMN1; SMN2NPC1RAB9AGAAADORA2A
SCHEMBL14072200 0.77 RPS6KA3 (0.47) SMN1; SMN2NPC1RAB9AADORA2AADORA1
SCHEMBL2390274 0.77 RPS6KA3 (0.45) NPC1RAB9AADORA2AADORA1ADORA3
SCHEMBL2389890 0.77 RPS6KA3 (0.45) NPC1RAB9AADORA2AADORA1ADORA3

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 7 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

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 SMN1; SMN2 3807/4885NPC1 4318/4885RAB9A 1801/4885
US-20120107902-A1 Processes For Forming Amide Bonds And Compositions Related Thereto TMT1A, LPO, GSTO1 SMN1; SMN2 3807/4885NPC1 4318/4885RAB9A 1801/4885

“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.