SCHEMBL29754162

SCHEMBL29754162

CCCCOC(=O)N(C)c1ccc(Br)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
ESR1 P03372 5/20 0.39
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
RAB9A P51151 2/20 0.37
NCEH1 Q6PIU2 1/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
MCL1 Q07820 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL17427750 0.79 SIRT2 (0.45) SIRT2LMNAL3MBTL1TDP1NPC1
SCHEMBL30622008 0.75 ATM (0.56) ATMESR1LMNAL3MBTL1TSHR
SCHEMBL4015276 0.75 SIRT2 (0.43) SIRT2LMNAL3MBTL1NPC1SMN1; SMN2
SCHEMBL21815662 0.74 ALDH1A1 (0.42) ESR1LMNAL3MBTL1TSHRTDP1
SCHEMBL17420936 0.74 SIRT2 (0.48) SIRT2LMNAL3MBTL1NPC1SMN1; SMN2
SCHEMBL30836869 0.73 ATM (0.37) ATMESR1LMNAL3MBTL1TSHR
SCHEMBL18552880 0.73 LMNA (0.45) ATMESR1LMNAL3MBTL1TSHR
SCHEMBL7407182 0.72 SMN1; SMN2 (0.53) LMNAL3MBTL1TSHRTDP1NPC1
SCHEMBL21815547 0.72 ESR1 (0.43) ESR1LMNATDP1SMN1; SMN2MAPT
SCHEMBL1000327 0.72 LMNA (0.40) LMNAL3MBTL1TSHRSMN1; SMN2NCEH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220259182-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2022-08-18 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 (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-20220259182-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK3, JAK1, JAK2 ATM 304/4885SIRT2 2297/4885ESR1 2065/4885

“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.