SCHEMBL23928218

SCHEMBL23928218

O=C(O)NCCc1ccc(NC(=O)CN2CCCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.60
TP53 P04637 1/20 0.60
RAB9A P51151 1/20 0.60
TSHR P16473 1/20 0.60
ALDH1A1 P00352 6/20 0.59
KDM4E B2RXH2 5/20 0.59
THRB P10828 1/20 0.59
HTT P42858 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
HPGD P15428 1/20 0.58
HRH3 Q9Y5N1 1/20 0.57
POLB P06746 2/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
RAD52 P43351 1/20 0.56
LMNA P02545 1/20 0.54
GLA P06280 1/20 0.54

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
SCHEMBL23928225 0.87 ALDH1A1 (0.54) NPC1TP53RAB9ATSHRALDH1A1
SCHEMBL23291148 0.87 ALDH1A1 (0.63) TSHRALDH1A1MEN1KMT2APOLB
SCHEMBL23928215 0.86 HRH3 (0.52) NPC1TP53RAB9ATSHRALDH1A1
SCHEMBL21834098 0.83 KDM4E (0.66) NPC1TP53RAB9AALDH1A1KDM4E
SCHEMBL23291156 0.82 NAMPT (0.59) NPC1TP53RAB9ATSHRALDH1A1
SCHEMBL23928147 0.82 KDM4E (0.64) NPC1TP53RAB9AALDH1A1KDM4E
SCHEMBL6279470 0.81 KDM4E (0.71) NPC1TP53RAB9AALDH1A1KDM4E
SCHEMBL21834194 0.80 KDM4E (0.69) NPC1TP53RAB9AALDH1A1KDM4E
SCHEMBL1936132 0.80 MCHR1 (0.61) TSHRALDH1A1KDM4EHTTL3MBTL1
SCHEMBL10210776 0.79 NPC1 (0.74) NPC1TP53RAB9ATSHRALDH1A1

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 NPC1 1520/4885TP53 2047/4885RAB9A 2869/4885
US-20210332055-A1 TRIAZOLOTRIAZINE DERIVATIVES AS A2A RECEPTOR ANTAGONISTS ADORA2A, ADORA1, ADORA3 NPC1 1520/4885TP53 2047/4885RAB9A 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.