SCHEMBL20339458

SCHEMBL20339458

Cc1cccc(NC(=O)CCC(=O)O)c1C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.57
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 3/20 0.51
HPGD P15428 2/20 0.51
SHMT2 P34897 1/20 0.50
POLB P06746 2/20 0.49
CYP2C19 P33261 1/20 0.49
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
MAPT P10636 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
SCHEMBL29902982 1.00 SMN1; SMN2 (0.57) SMN1; SMN2KDM4EALDH1A1HPGDSHMT2
SCHEMBL23073605 0.83 ITGB3 (0.41) SMN1; SMN2KDM4EALDH1A1HPGDSHMT2
SCHEMBL20339461 0.82 SMN1; SMN2 (0.65) SMN1; SMN2KDM4EALDH1A1HPGDSHMT2
SCHEMBL29903009 0.82 SMN1; SMN2 (0.65) SMN1; SMN2KDM4EALDH1A1HPGDSHMT2
SCHEMBL13735420 0.81 SMN1; SMN2 (0.72) SMN1; SMN2KDM4EALDH1A1SHMT2POLB
SCHEMBL14292047 0.81 HDAC3 (0.66) SMN1; SMN2KDM4EHPGDCYP2C19HDAC3
SCHEMBL28745628 0.81 HDAC3 (0.66) SMN1; SMN2KDM4EHPGDCYP2C19HDAC3
SCHEMBL4362002 0.78 GPR35 (0.51) SMN1; SMN2KDM4EALDH1A1HPGDPOLB
SCHEMBL29902998 0.77 HDAC3 (0.50) SMN1; SMN2KDM4EALDH1A1HPGDPOLB
SCHEMBL20339486 0.77 HDAC3 (0.50) SMN1; SMN2KDM4EALDH1A1HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11993585-B2 Poly-ADP ribose polymerase (PARP) inhibitors MITOBRIDGE, INC. (US) 2024-05-28 US disclosed
CN-110167926-B Poly-ADP ribose polymerase (PARP) inhibitors 米托布里奇公司 2022-09-13 CN disclosed
US-20220033380-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS Astellas Engineered Small Molecules US, Incorporated 2022-02-03 US disclosed
US-20220033380-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS Astellas Engineered Small Molecules US, Incorporated 2022-02-03 US disclosed
US-11034670-B2 Poly-ADP ribose polymerase (PARP) inhibitors MITOBRIDGE, INC. (US) 2021-06-15 US disclosed
US-11034670-B2 Poly-ADP ribose polymerase (PARP) inhibitors MITOBRIDGE, INC. (US) 2021-06-15 US disclosed
EP-3562822-B1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS MITOBRIDGE INC (US) 2021-03-10 EP disclosed
EP-3562822-B1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS MITOBRIDGE INC (US) 2021-03-10 EP disclosed
US-20200071299-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS Astellas Engineered Small Molecules US, Incorporated 2020-03-05 US disclosed
US-20200071299-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS Astellas Engineered Small Molecules US, Incorporated 2020-03-05 US disclosed
EP-3562822-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS Mitobridge, Inc. (US) 2019-11-06 EP disclosed
WO-2018125961-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS MITOBRIDGE, INC. (US) 2018-07-05 WO disclosed
WO-2018125961-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS MITOBRIDGE, INC. (US) 2018-07-05 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 (4 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-20220033380-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP11 SMN1; SMN2 945/4885KDM4E 2486/4885ALDH1A1 203/4885
US-11993585-B2 Poly-ADP ribose polymerase (PARP) inhibitors PARP1, PARP2, PARP11 SMN1; SMN2 945/4885KDM4E 2486/4885ALDH1A1 203/4885
US-11034670-B2 Poly-ADP ribose polymerase (PARP) inhibitors PARP1, PARP2, PARP11 SMN1; SMN2 945/4885KDM4E 2486/4885ALDH1A1 203/4885
US-20200071299-A1 POLY-ADP RIBOSE POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP11 SMN1; SMN2 945/4885KDM4E 2486/4885ALDH1A1 203/4885

“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.