SCHEMBL25913626

SCHEMBL25913626

CC(=O)c1ccc2nc(C(C)(C)C)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
HSP90AA1 P07900 1/20 0.49
ESR2 Q92731 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SCN10A Q9Y5Y9 2/20 0.48
KCNH2 Q12809 1/20 0.48
HDAC6 Q9UBN7 1/20 0.46
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
NPBWR1 P48145 1/20 0.44
GSK3B P49841 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
GCGR P47871 1/20 0.42
CHEK2 O96017 1/20 0.42

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
SCHEMBL14336548 0.88 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL14336556 0.86 CHEK2 (0.57) SMN1; SMN2ALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL14336559 0.84 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL14336565 0.84 ALDH1A1 (0.78) SMN1; SMN2ALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL14336572 0.84 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL6113137 0.79 HSP90AA1 (0.76) SMN1; SMN2ALDH1A1KDM4EHSP90AA1ESR2
SCHEMBL17821410 0.78 HSP90AA1 (0.51) SMN1; SMN2ALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL725578 0.78 FABP6 (0.66) SMN1; SMN2ALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL18659837 0.77 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL22487928 0.75 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1L3MBTL1KDM4ELMNA

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-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 US disclosed
EP-4215525-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Zhejiang Hisun Pharmaceutical Co., Ltd. (CN) 2023-07-26 EP 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-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF F7, F11, HABP2 SMN1; SMN2 4054/4885ALDH1A1 1218/4885L3MBTL1 4402/4885

“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.