SCHEMBL21776994

SCHEMBL21776994

NNC(=O)c1ccc(N2CCOCC2)c(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.59
MAPT P10636 1/20 0.59
THRB P10828 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CYP2C9 P11712 1/20 0.52
CSF1R P07333 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
BRAF P15056 2/20 0.49
AURKA O14965 1/20 0.49
RPS6KB1 P23443 1/20 0.49
AURKB Q96GD4 1/20 0.49
ABL1 P00519 1/20 0.49
BCR P11274 1/20 0.49
SRC P12931 1/20 0.49
FLT3 P36888 1/20 0.49
KCNH2 Q12809 1/20 0.49
RAF1 P04049 1/20 0.48
F2 P00734 1/20 0.48
F7 P08709 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47

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
SCHEMBL2709426 0.85 SMN1; SMN2 (0.56) TP53MAPTTHRBSMN1; SMN2CYP2C9
SCHEMBL580818 0.84 TTR (0.55) TP53MAPTTHRBSMN1; SMN2CYP2C9
SCHEMBL22304646 0.83 TP53 (0.56) TP53MAPTTHRBSMN1; SMN2CYP2C9
SCHEMBL20716309 0.83 NPC1 (0.52) TP53MAPTTHRBSMN1; SMN2CYP2C9
SCHEMBL23648381 0.83 SMN1; SMN2 (0.54) TP53MAPTTHRBSMN1; SMN2CYP2C9
SCHEMBL22288615 0.83 NPC1 (0.64) TP53MAPTSMN1; SMN2L3MBTL1
SCHEMBL250807 0.83 SMN1; SMN2 (0.59) TP53MAPTTHRBSMN1; SMN2CYP2C9
SCHEMBL2771499 0.82 SMN1; SMN2 (0.62) TP53MAPTTHRBSMN1; SMN2CYP2C9
SCHEMBL20702897 0.82 NPC1 (0.57) TP53MAPTTHRBSMN1; SMN2CYP2C9
SCHEMBL21792174 0.81 NOTUM (0.45) TP53MAPTTHRBSMN1; SMN2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 US disclosed
EP-3843844-A1 COMPOUNDS UCL Business Ltd (GB) 2021-07-07 EP disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
US-20210171475-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2021-06-10 US disclosed
WO-2020157201-A1 OXADIAZINONE COMPOUNDS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2020-08-06 WO disclosed
WO-2020157201-A1 OXADIAZINONE COMPOUNDS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2020-08-06 WO disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 WO disclosed
WO-2020043866-A1 COMPOUNDS UCL BUSINESS LTD (GB) 2020-03-05 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 (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-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 TP53 2189/4885MAPT 1431/4885THRB 3322/4885
US-20210171475-A1 COMPOUNDS GOT2, GOT1, OAT TP53 2255/4885MAPT 315/4885THRB 2291/4885

“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.