SCHEMBL23928192

SCHEMBL23928192

O=C(O)NCCc1ccc(OCCBr)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
TAAR1 Q96RJ0 1/20 0.51
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ACACB O00763 2/20 0.50
MAPT P10636 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
ALDH1A1 P00352 1/20 0.49
PTPN1 P18031 1/20 0.48
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.46
FFAR1 O14842 1/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL23928126 0.84 TAAR1 (0.55) KMT2AMEN1TAAR1RAB9ANPC1
SCHEMBL5727784 0.84 KMT2A (0.54) KMT2AMEN1TAAR1RAB9ANPC1
SCHEMBL17935564 0.84 NPC1 (0.68) KMT2AMEN1TAAR1RAB9ANPC1
SCHEMBL23928140 0.83 KMT2A (0.59) KMT2AMEN1TAAR1RAB9ANPC1
SCHEMBL1309567 0.83 ALDH1A1 (0.55) KMT2AMEN1TAAR1RAB9ANPC1
SCHEMBL23291261 0.81 CYP1A2 (0.56) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL23291312 0.81 MAPT (0.66) KMT2AMEN1TAAR1RAB9ANPC1
SCHEMBL21989979 0.81 ALDH1A1 (0.51) KMT2ARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4519919 0.81 MAPT (0.67) KMT2ARAB9ANPC1SMN1; SMN2ACACB
SCHEMBL9439608 0.81 KMT2A (0.53) KMT2AMEN1TAAR1RAB9ANPC1

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 1329/4885TAAR1 36/4885
US-20210332055-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 KMT2A 1530/4885MEN1 1329/4885TAAR1 36/4885

“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.