SCHEMBL4134700

SCHEMBL4134700

CC(C)(C)OC(=O)NCC(C)(C)c1c[nH]c(C(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSP90AA1 P07900 1/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4A O75164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SERPINE1 P05121 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNA1C Q13936 1/20 0.34
PTPN11 Q06124 1/20 0.34
IDO1 P14902 2/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL4126615 0.88 ALDH1A1 (0.43) MEN1GAAKMT2AKDM4AL3MBTL1
SCHEMBL7036291 0.78 L3MBTL1 (0.46) MEN1GAAKMT2ATDP1KDM4A
SCHEMBL23705343 0.76 TPMT (0.42) MEN1GAAKMT2ATDP1KDM4A
SCHEMBL630419 0.75 IDO1 (0.47) NPC1RAB9AMEN1GAAKMT2A
SCHEMBL6211950 0.74 MAPT (0.49) MEN1GAAKMT2APTPN11IDO1
SCHEMBL30058882 0.73 NPC1 (0.43) NPC1RAB9AKDM4AIDO1
SCHEMBL23704861 0.73 NPC1 (0.43) NPC1RAB9AKDM4AIDO1
SCHEMBL3699220 0.71 SHBG (0.49) GAATDP1KDM4ALMNA
SCHEMBL3738623 0.70 SMN1; SMN2 (0.60) NPC1RAB9ASMN1; SMN2HSP90AA1PKM
SCHEMBL23826260 0.70 LATS1 (0.47) RAB9ATDP1KDM4AL3MBTL1BCHE

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-20090137554-A1 1,4,5,6-TETRAHYDRO -PYRROLO[2,3-d]AZEPINES AND -IMIDAZO[4,5-d]AZEPINES AS MODULATORS OF NUCLEAR RECEPTOR ACTIVITY WYETH (US) 2009-05-28 US disclosed
US-20090131409-A1 1,4,5,6,7,8-HEXAHYDRO -PYRROLO[2,3-d]AZEPINES AND -IMIDAZO[4,5-d]AZEPINES AS MODULATORS OF NUCLEAR RECEPTOR ACTIVITY WYETH (US) 2009-05-21 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-20090137554-A1 1,4,5,6-TETRAHYDRO -PYRROLO[2,3-d]AZEPINES AND -IMIDAZO[4,5-d]AZEPINES AS MODULATORS OF NUCLEAR RECEPTOR ACTIVITY NR5A2, NR1H2, NR2C2 NPC1 178/4885RAB9A 1260/4885SMN1; SMN2 2430/4885
US-20090131409-A1 1,4,5,6,7,8-HEXAHYDRO -PYRROLO[2,3-d]AZEPINES AND -IMIDAZO[4,5-d]AZEPINES AS MODULATORS OF NUCLEAR RECEPTOR ACTIVITY NR1H2, NR1H3, NR5A2 NPC1 158/4885RAB9A 1744/4885SMN1; SMN2 3098/4885

“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.