SCHEMBL29117136

SCHEMBL29117136

CCOC(=O)c1nc(C(C)(C)C)ns1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
HPGD P15428 5/20 0.44
CYP1A2 P05177 2/20 0.39
LMNA P02545 3/20 0.38
MAPT P10636 5/20 0.37
KDM4E B2RXH2 3/20 0.37
RAB9A P51151 3/20 0.37
GAA P10253 3/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FOS P01100 1/20 0.35
JUN P05412 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35

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
SCHEMBL22578954 0.79 CYP1A2 (0.43) ALDH1A1HPGDCYP1A2LMNAMAPT
SCHEMBL18039508 0.76 CYP1A2 (0.41) ALDH1A1HPGDCYP1A2LMNAMAPT
SCHEMBL25219857 0.76 CYP1A2 (0.41) ALDH1A1HPGDCYP1A2LMNAMAPT
SCHEMBL23796030 0.75 CYP1A2 (0.40) ALDH1A1HPGDCYP1A2LMNAMAPT
SCHEMBL21448777 0.74 ALDH1A1 (0.32) ALDH1A1
SCHEMBL8947247 0.74 CNR2 (0.32)
SCHEMBL22579014 0.74 ALDH1A1 (0.39) ALDH1A1HPGDCYP1A2MAPTKDM4E
SCHEMBL4101439 0.74 PPARD (0.44) ALDH1A1HPGDLMNAMAPTKDM4E
SCHEMBL1936537 0.73 ALDH1A1 (0.40) ALDH1A1HPGDCYP1A2LMNAMAPT
SCHEMBL5777601 0.73 ALDH1A1 (0.40) ALDH1A1HPGDCYP1A2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228501-A1 IMIDAZOLE-CONTAINING CONDENSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN MEDICINE CHANGCHUN GENESCIENCE PHARMACEUTICAL CO., LTD. (CN) 2024-07-11 US disclosed
EP-4293023-A1 IMIDAZOLE-CONTAINING CONDENSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN MEDICINE Changchun Genescience Pharmaceutical Co., Ltd. (CN) 2023-12-20 EP disclosed
CN-117177974-A Imidazole-containing condensed ring derivative, preparation method and medical application thereof 长春金赛药业有限责任公司 2023-12-05 CN disclosed
WO-2022222963-A1 IMIDAZOLE-CONTAINING CONDENSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN MEDICINE 长春金赛药业有限责任公司 2022-10-27 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 (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-20240228501-A1 IMIDAZOLE-CONTAINING CONDENSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF IN MEDICINE KISS1R, CYP3A43, SLC6A11 ALDH1A1 1460/4885HPGD 514/4885CYP1A2 445/4885

“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.