SCHEMBL12590064

SCHEMBL12590064

CC1CC(=O)N(CCNC(=O)CON)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.37
▸ ALDH1A1 P00352 6/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ POLB P06746 1/20 0.32

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
SCHEMBL19978666 0.88 HTT (0.39) HTTALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL12799291 0.83 HTT (0.35) HTTALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL16309339 0.83 MTNR1A (0.46) SMN1; SMN2LMNAL3MBTL1HDAC3HDAC4
SCHEMBL20330624 0.82 HPGD (0.36) HTTALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL12590065 0.82 AKT1 (0.34) HTTALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL18471059 0.82 HDAC6 (0.34) HTTSMN1; SMN2LMNAL3MBTL1HDAC3
SCHEMBL13950300 0.80 SMN1; SMN2 (0.40) HTTALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL15934066 0.80 MTNR1A (0.41) HTTALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL18557387 0.80 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2KDM4EL3MBTL1HDAC3
SCHEMBL21389449 0.79 ALDH1A1 (0.34) HTTALDH1A1SMN1; SMN2KDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9061080-B2 HER2 binding peptides labeled with aluminium-[18] fluoride complexed by NOTA GE HEALTHCARE LIMITED (GB) 2015-06-23 — — US disclosed
US-20130295010-A1 HER2 BINDING PEPTIDES LABELLED WITH A 18F - CONTAINING ORGANOSILICON COMPOUND GE HEALTHCARE LIMITED (GB) 2013-11-07 — — US disclosed
US-20130287685-A1 HER2 BINDING PEPTIDES LABELED WITH ALUMINIUM-[18] FLUORIDE COMPLEXED BY NOTA GE HEALTHCARE LIMITED (GB) 2013-10-31 — — US disclosed
US-8487080-B2 Fluorine-labeled compounds GENERAL ELECTRIC COMPANY (US) 2013-07-16 — — US disclosed
US-20110160430-A1 FLUORINE-LABELED COMPOUNDS GENERAL ELECTRIC COMPANY (US) 2011-06-30 — — 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 (3 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-20130287685-A1 HER2 BINDING PEPTIDES LABELED WITH ALUMINIUM-[18] FLUORIDE COMPLEXED BY NOTA ERBB2, EGFR, ERBB3 HTT 3163/4885ALDH1A1 4814/4885SMN1; SMN2 3269/4885
US-20110160430-A1 FLUORINE-LABELED COMPOUNDS PFAS, DHFR, PAICS HTT 1849/4885ALDH1A1 226/4885SMN1; SMN2 2305/4885
US-20130295010-A1 HER2 BINDING PEPTIDES LABELLED WITH A 18F - CONTAINING ORGANOSILICON COMPOUND ERBB2, EGFR, ERBB3 HTT 1569/4885ALDH1A1 4869/4885SMN1; SMN2 3799/4885

“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.

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