SCHEMBL23928145

SCHEMBL23928145

O=C(O)NCCc1ccc(NC2CCSCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
EPHX1 P07099 3/20 0.44
EPHX2 P34913 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
CNR1 P21554 4/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 4/20 0.39
TAAR1 Q96RJ0 4/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LTA4H P09960 1/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL7096423 0.83 NPC1 (0.43) SMN1; SMN2NPC1RAB9AEPHX1EPHX2
SCHEMBL23928244 0.83 NAMPT (0.46) SMN1; SMN2NPC1RAB9AEPHX1EPHX2
SCHEMBL23928177 0.82 NPC1 (0.42) SMN1; SMN2NPC1RAB9AEPHX1EPHX2
SCHEMBL23928178 0.82 NPC1 (0.42) SMN1; SMN2NPC1RAB9AEPHX1EPHX2
SCHEMBL23928203 0.81 NAMPT (0.52) NPC1RAB9AEPHX1ALDH1A1
SCHEMBL23291298 0.80 NPC1 (0.42) SMN1; SMN2NPC1RAB9AEPHX1EPHX2
SCHEMBL23928201 0.78 NAMPT (0.43) SMN1; SMN2NPC1RAB9AEPHX1EPHX2
SCHEMBL7095635 0.77 LTA4H (0.59) SMN1; SMN2ALDH1A1KMT2ALTA4H
SCHEMBL7092203 0.77 ADRB3 (0.57)
SCHEMBL7095565 0.76 ADRB3 (0.50) MEN1KMT2A

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 SMN1; SMN2 4178/4885NPC1 1520/4885RAB9A 2869/4885
US-20210332055-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 SMN1; SMN2 4178/4885NPC1 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.