SCHEMBL21099292

SCHEMBL21099292

O=C(NN1C(=O)CCC1=O)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.53
GAA P10253 3/20 0.53
KDM4E B2RXH2 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
KMT2A Q03164 1/20 0.53
PTGS2 P35354 3/20 0.49
MAPT P10636 2/20 0.49
TLR7 Q9NYK1 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
CRBN Q96SW2 1/20 0.47
GRM5 P41594 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46

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
SCHEMBL25215843 0.81 LMNA (0.60) GRM4KDM4EKMT2APTGS2MAPT
SCHEMBL10472252 0.80 GRM4 (0.44) GRM4GAAKDM4ETDP1KMT2A
SCHEMBL30761577 0.75 CNR1 (0.58) GAAKDM4ETDP1KMT2APTGS2
SCHEMBL10029258 0.74 ALDH1A1 (0.60) GRM4GAAKDM4EKMT2AMAPT
SCHEMBL403316 0.74 ALDH1A1 (0.60) GRM4GAAKDM4EKMT2AMAPT
SCHEMBL4508472 0.73 CES2 (0.64) GRM4GAAKDM4ETDP1KMT2A
SCHEMBL1147702 0.73 KDM4E (0.73) KDM4ETDP1MAPTTLR7L3MBTL1
2-Picolinic Acid SCHEMBL994022 0.72 L3MBTL1 (0.67) GRM4GAAKDM4ETDP1KMT2A
SCHEMBL2884583 0.72 PTGS2 (0.50) GAAKDM4ETDP1KMT2APTGS2
SCHEMBL25411521 0.72 L3MBTL1 (0.60) GAAKDM4ETDP1KMT2APTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11001555-B2 Difluoroketamide derivatives as HTRA1 inhibitors HOFFMAN-LA ROCHE INC. (US) 2021-05-11 US disclosed
US-20190185427-A1 DIFLUOROKETAMIDE DERIVATIVES AS HTRA1 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-06-20 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 (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-11001555-B2 Difluoroketamide derivatives as HTRA1 inhibitors HTRA1, HTR1A, HTR1F GRM4 2223/4885GAA 1969/4885KDM4E 2060/4885
US-20190185427-A1 DIFLUOROKETAMIDE DERIVATIVES AS HTRA1 INHIBITORS HTRA1, HTR1A, HTR1F GRM4 2223/4885GAA 1969/4885KDM4E 2060/4885

“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.