SCHEMBL23928173

SCHEMBL23928173

COCCOCCOCCOCCOCCOCCOc1ccc(CCNC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MEN1 O00255 2/20 0.56
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
PTPN1 P18031 1/20 0.50
ACACB O00763 1/20 0.49
ALDH1A1 P00352 2/20 0.48
GLA P06280 1/20 0.48
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL23928212 1.00 KMT2A (0.56) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL23291174 1.00 KMT2A (0.56) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL23928106 1.00 KMT2A (0.56) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL20399505 1.00 KMT2A (0.56) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL23928108 1.00 KMT2A (0.56) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL23291303 1.00 KMT2A (0.56) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL23928138 1.00 KMT2A (0.56) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL23291187 1.00 KMT2A (0.56) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL23928140 0.96 KMT2A (0.59) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL9439608 0.87 KMT2A (0.53) KMT2AMEN1RAB9ANPC1SMN1; SMN2

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 KMT2A 1530/4885MEN1 1329/4885RAB9A 2869/4885
US-20210332055-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 KMT2A 1530/4885MEN1 1329/4885RAB9A 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.