SCHEMBL20564720

SCHEMBL20564720

COc1ccc(N(c2cc(C)c(F)c(C)c2)C(C(=O)OC(C)C)C(=O)OC(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP2C19 P33261 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX5 P09917 2/20 0.36
APP P05067 1/20 0.36
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL20564573 0.88 KDM4E (0.36) L3MBTL1TDP1MAPTHTTLMNA
SCHEMBL26324961 0.88 L3MBTL1 (0.42) L3MBTL1TDP1CYP2C19NPC1RAB9A
SCHEMBL26327848 0.83 KEAP1 (0.40) L3MBTL1TDP1HPGDSMN1; SMN2KEAP1
SCHEMBL20565359 0.83 TSPO (0.33) L3MBTL1TDP1
SCHEMBL25439842 0.80 USP2 (0.49) L3MBTL1TDP1CYP2C19NPC1RAB9A
SCHEMBL20565005 0.78 ALDH1A1 (0.40) L3MBTL1TDP1CYP2C19NPC1RAB9A
SCHEMBL25439936 0.75 ALOX5 (0.42) L3MBTL1TDP1RAB9AALOX5ALDH1A1
SCHEMBL26325017 0.74 KDM4E (0.34) L3MBTL1TDP1
SCHEMBL20564588 0.72 ALOX5 (0.41) CYP2D6SMN1; SMN2ALOX5HTTKMT2A
SCHEMBL25439886 0.72 ALOX5 (0.45) CYP2D6SMN1; SMN2ALOX5ALDH1A1KMT2A

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-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents WILLIAM MARSH RICE UNIVERSITY (US) 2023-09-26 US disclosed
WO-2018213572-A9 PREPARATION OF SECONDARY AMINES WITH ELECTROPHILIC N-LINCHPIN REAGENTS WILLIAM MARSH RICE UNIVERSITY (US) 2018-12-13 WO disclosed
WO-2018213572-A1 PREPARATION OF SECONDARY AMINES WITH ELECTROPHILIC N-LINCHPIN REAGENTS WILLIAM MARSH RICE UNIVERSITY (US) 2018-11-22 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-11767291-B2 Preparation of secondary amines with electrophilic N-linchpin reagents PNMT, NCL, NPM1 L3MBTL1 1180/4885TDP1 1841/4885CYP2C19 3335/4885

“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.