SCHEMBL23928240

SCHEMBL23928240

O=C(O)NCCc1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.60
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 2/20 0.58
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
POLB P06746 1/20 0.53
ACACB O00763 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
EPHX2 P34913 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL23291288 0.94 EPHX2 (0.60) KDM4EALDH1A1SMN1; SMN2HRH3EPHX2
SCHEMBL23291269 0.93 KDM4E (0.64) LTA4HKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL23928153 0.89 LTA4H (0.64) LTA4HKDM4EHRH3EPHX2
SCHEMBL23928172 0.88 LTA4H (0.63) LTA4HKDM4EALDH1A1HRH3EPHX2
SCHEMBL23928236 0.88 LTA4H (0.63) LTA4HKDM4EALDH1A1HRH3EPHX2
SCHEMBL23291236 0.86 LTA4H (0.59) LTA4HKDM4EALDH1A1RAB9AMEN1
SCHEMBL10132780 0.85 HPGD (0.62) LTA4HKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL23291143 0.84 BRD4 (0.53) LTA4HKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL31427171 0.84 LTA4H (0.64) LTA4HKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL23928237 0.83 HRH3 (0.50) LTA4HKDM4EHRH3EPHX2MEN1

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 LTA4H 1029/4885KDM4E 3952/4885ALDH1A1 571/4885
US-20210332055-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 LTA4H 1029/4885KDM4E 3952/4885ALDH1A1 571/4885

“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.