SCHEMBL25890505

SCHEMBL25890505

CCN1C(=O)C(C)(O)c2ccncc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CNR1 P21554 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
MARK3 P27448 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
CYP2C19 P33261 2/20 0.35
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
ELANE P08246 1/20 0.34
GAA P10253 1/20 0.34
KDM5A P29375 1/20 0.33

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
SCHEMBL25891417 0.88 ALDH1A1 (0.41) ALDH1A1POLBNPSR1CNR1GPR55
SCHEMBL25890243 0.80 MEN1 (0.41) ALDH1A1KMT2AMEN1SMN1; SMN2GAA
SCHEMBL25890244 0.70 MEN1 (0.44) ALDH1A1CNR1GPR55KMT2AMEN1
SCHEMBL25891411 0.70 ALDH1A1 (0.44) ALDH1A1POLBNPSR1CNR1GPR55
SCHEMBL18189005 0.70 ALDH1A1 (0.58) ALDH1A1NPSR1SMN1; SMN2GAA
SCHEMBL25313839 0.66 ALDH1A1 (0.37) ALDH1A1CYP2C19SMN1; SMN2CYP1A2CYP3A4
SCHEMBL31528162 0.63 ALDH1A1 (0.39) ALDH1A1POLBNPSR1CNR1GPR55
SCHEMBL25314012 0.62 ATM (0.45) ALDH1A1KMT2AMEN1
SCHEMBL8276166 0.62 AADAT (0.40) HDAC6CYP1A2
SCHEMBL25891468 0.61 ADORA3 (0.38) ALDH1A1KMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234938-A1 NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-07-27 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 (1 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-20230234938-A1 NOVEL COMPOUNDS USEFUL AS POLY(ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 ALDH1A1 426/4885POLB 90/4885NPSR1 4438/4885

“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.