SCHEMBL23928244

SCHEMBL23928244

O=C(O)NCCc1ccc(NC2CCOCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.46
MAPK1 P28482 2/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
RORC P51449 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 2/20 0.41
EPHX1 P07099 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
EPHX2 P34913 1/20 0.41
TAAR1 Q96RJ0 3/20 0.41
RPS6KA1 Q15418 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL23928201 0.92 NAMPT (0.43) NAMPTMAPK1NPC1RAB9ARORC
SCHEMBL23291298 0.86 NPC1 (0.42) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL23928145 0.83 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7096423 0.83 NPC1 (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL23928177 0.82 NPC1 (0.42) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL23928178 0.82 NPC1 (0.42) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL23928179 0.81 NAMPT (0.52) NAMPTMAPK1NPC1RAB9AEPHX1
SCHEMBL7095635 0.77 LTA4H (0.59) SMN1; SMN2KMT2APOLBALDH1A1
SCHEMBL7092203 0.77 ADRB3 (0.57) POLB
SCHEMBL7095565 0.76 ADRB3 (0.50) MEN1KMT2APOLB

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-11845751-B2 Triazolotriazine derivatives as A2A receptor antagonists ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2023-12-19 US disclosed
US-20210332055-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ZHEJIANG VIMGREEN PHARMACEUTICALS, LTD. (CN) 2021-10-28 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-11845751-B2 Triazolotriazine derivatives as A2A receptor antagonists ADORA2A, ADORA1, ADORA3 NAMPT 1862/4885MAPK1 2109/4885NPC1 1520/4885
US-20210332055-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 NAMPT 1862/4885MAPK1 2109/4885NPC1 1520/4885

“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.