SCHEMBL22451971

SCHEMBL22451971

COC(=O)c1cccc(CN(Cc2cc(O)cc(CN(Cc3cccc(C(=O)OC)n3)Cc3cccc(C(=O)OC)n3)n2)Cc2cccc(C(=O)OC)n2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.49
MAPT P10636 4/20 0.43
CYP1A2 P05177 3/20 0.43
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.43
PARP1 P09874 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GRM5 P41594 1/20 0.39
ADORA2A P29274 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL22451837 0.92 MRGPRX4 (0.49) MRGPRX4MAPTCYP1A2GAARECQL
SCHEMBL30801055 0.86 MRGPRX4 (0.37) MRGPRX4CYP1A2ALDH1A1
SCHEMBL27119074 0.86 MRGPRX4 (0.37) MRGPRX4CYP1A2ALDH1A1
SCHEMBL22451974 0.83 FAAH (0.45) MRGPRX4HPGDL3MBTL1
SCHEMBL22451836 0.82 BRD4 (0.49) MRGPRX4MAPTCYP1A2GAARECQL
SCHEMBL29683735 0.82 BRD4 (0.49) MRGPRX4MAPTCYP1A2GAARECQL
SCHEMBL24440581 0.81 MRGPRX4 (0.45) MRGPRX4MAPTCYP1A2GAARECQL
SCHEMBL31721222 0.80 MRGPRX4 (0.49) MRGPRX4MAPTCYP1A2GAARECQL
SCHEMBL15865609 0.77 BRD4 (0.47) MRGPRX4MAPTPARP1SMN1; SMN2KDM4E
SCHEMBL12454120 0.76 BRD4 (0.46) MRGPRX4MAPTPARP1SMN1; SMN2KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220160908-A1 CHELATORS AND METHODS OF MAKING AND USING SAME PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2022-05-26 US disclosed
US-20220160908-A1 CHELATORS AND METHODS OF MAKING AND USING SAME PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2022-05-26 US disclosed
WO-2020186328-A1 CHELATORS AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2020-09-24 WO 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 (1 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-20220160908-A1 CHELATORS AND METHODS OF MAKING AND USING SAME TFRC, SLC40A1, FOLH1 MRGPRX4 1100/4885MAPT 4292/4885CYP1A2 4245/4885

“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.