SCHEMBL16689552

SCHEMBL16689552

Cc1ccc(C(=O)C(C)C)cc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
GAA P10253 2/20 0.53
KDM4E B2RXH2 1/20 0.53
DBH P09172 1/20 0.53
RECQL P46063 1/20 0.53
CHRNA1 P02708 2/20 0.46
CHRNG P07510 2/20 0.46
CHRNB1 P11230 2/20 0.46
CHRNB2 P17787 2/20 0.46
SLC6A2 P23975 2/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
CHRNA4 P43681 2/20 0.46
SLC6A3 Q01959 2/20 0.46
CHRND Q07001 2/20 0.46
KCNQ3 O43525 2/20 0.46
KCNQ2 O43526 2/20 0.46
KCNE1 P15382 2/20 0.46
KCNQ1 P51787 2/20 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
SCHEMBL12780290 0.85 GAA (0.53) HDAC1HDAC6GAAKDM4EDBH
SCHEMBL3860137 0.84 CHRNA1 (0.62) GAAKDM4EDBHRECQLCHRNA1
SCHEMBL3670046 0.82 KDM4E (0.59) GAAKDM4EDBHRECQLCHRNA1
SCHEMBL4609777 0.81 KDM4E (0.69) GAAKDM4EDBHRECQLCHRNA1
SCHEMBL7247767 0.79 GAA (0.52) HDAC1HDAC6GAAKDM4EDBH
SCHEMBL19769164 0.79 GAA (0.52) HDAC6GAAKDM4EDBHRECQL
SCHEMBL17275631 0.79 GAA (0.52) HDAC1HDAC6GAAKDM4EDBH
SCHEMBL18997244 0.79 HDAC1 (0.47) HDAC1HDAC6CHRNA1CHRNGCHRNB1
SCHEMBL12438206 0.78 GAA (0.50) GAAKDM4EDBHRECQLCHRNA1
SCHEMBL18290840 0.78 GAA (0.50) HDAC1HDAC6GAAKDM4EDBH

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
CN-107922347-B Novel imide derivatives and their use as pharmaceuticals 田边三菱制药株式会社 2022-06-28 CN disclosed
US-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
US-20180148453-A1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-31 US disclosed
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 EP disclosed
US-20160287607-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-10-06 US disclosed
US-9333202-B2 Non-retinoid antagonists for treatment of age-related macular degeneration and stargardt disease THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-05-10 US disclosed
US-20150126494-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-05-07 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 (5 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-20150126494-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE RBP4, RBP1, LRAT HDAC1 2341/4885HDAC6 1732/4885GAA 303/4885
US-20160287607-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE RBP4, RBP1, LRAT HDAC1 2341/4885HDAC6 1732/4885GAA 303/4885
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 HDAC1 186/4885HDAC6 100/4885GAA 1697/4885
US-20180148453-A1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, PDE4D HDAC1 433/4885HDAC6 167/4885GAA 195/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 HDAC1 203/4885HDAC6 140/4885GAA 1645/4885

“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.