SCHEMBL20565360

SCHEMBL20565360

Cc1cc(F)cc(N(c2cc(C)cc(F)c2)C(C(=O)OC(C)C)C(=O)OC(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSPO P30536 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.31
AR P10275 1/20 0.30
CXCR2 P25025 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL26325021 0.85 TDP1 (0.31) TDP1L3MBTL1TSPOKDM4ECXCR2
SCHEMBL20565359 0.85 TSPO (0.33) TDP1L3MBTL1TSPOKDM4EAR
SCHEMBL20564573 0.81 KDM4E (0.36) TDP1L3MBTL1MAPTKDM4ECA12
SCHEMBL26328003 0.79 ALDH1A1 (0.32) TDP1MAPTCXCR2
SCHEMBL25439960 0.79 HDAC3 (0.33) TSPO
SCHEMBL20565053 0.78 MEN1 (0.39) TDP1L3MBTL1TSPOMAPTKDM4E
SCHEMBL25439936 0.76 ALOX5 (0.42) TDP1L3MBTL1KDM4ECA12CA1
SCHEMBL25440020 0.74 PDCD1 (0.40) TSPOMAPT
SCHEMBL20564588 0.74 ALOX5 (0.41) TSPO
SCHEMBL20565005 0.74 ALDH1A1 (0.40) TDP1L3MBTL1MAPTKDM4ECA12

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 TDP1 1841/4885L3MBTL1 1180/4885TSPO 3646/4885

“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.