SCHEMBL23928201

SCHEMBL23928201

O=C(O)NCCc1ccc(NC2CCOC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
EPHX1 P07099 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
EPHX2 P34913 1/20 0.39
POLB P06746 2/20 0.39
RORC P51449 1/20 0.39
S1PR3 Q99500 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GSTO1 P78417 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TAAR1 Q96RJ0 2/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL23928244 0.92 NAMPT (0.46) NAMPTNPC1RAB9ASMN1; SMN2EPHX1
SCHEMBL23291298 0.89 NPC1 (0.42) NPC1RAB9ASMN1; SMN2EPHX1TP53
SCHEMBL23291278 0.82 NAMPT (0.50) NAMPTEPHX1ALDH1A1
SCHEMBL7096423 0.78 NPC1 (0.43) NPC1RAB9ASMN1; SMN2EPHX1TP53
SCHEMBL23928145 0.78 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2EPHX1TP53
SCHEMBL23928127 0.77 BACE1 (0.40) NAMPTRORCS1PR3KMT2AALDH1A1
SCHEMBL23928178 0.77 NPC1 (0.42) NPC1RAB9ASMN1; SMN2EPHX1TP53
SCHEMBL23928177 0.77 NPC1 (0.42) NPC1RAB9ASMN1; SMN2EPHX1TP53
SCHEMBL23928179 0.74 NAMPT (0.52) NAMPTNPC1RAB9AEPHX1MAPK1
SCHEMBL17072660 0.74 RORC (0.41) NPC1RAB9ASMN1; SMN2TP53RORC

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 1862/4885NPC1 1520/4885RAB9A 2869/4885
US-20210332055-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 NAMPT 1862/4885NPC1 1520/4885RAB9A 2869/4885

“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.