SCHEMBL29944923

SCHEMBL29944923

CC(C1CC1)n1ncc2c(C(=O)O)cc(C3CC3)nc21

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.80
KMT2A Q03164 1/20 0.80
L3MBTL1 Q9Y468 3/20 0.52
PSMD14 O00487 1/20 0.52
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
MAT2A P31153 4/20 0.51
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PPARA Q07869 1/20 0.47
RAB9A P51151 1/20 0.47
EED O75530 1/20 0.47
RBBP4 Q09028 1/20 0.47
SUZ12 Q15022 1/20 0.47
EZH2 Q15910 1/20 0.47
RBBP7 Q16576 1/20 0.47
POLB P06746 1/20 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
SCHEMBL26695307 1.00 KDM4E (0.80) KDM4EKMT2AL3MBTL1PSMD14OPRM1
SCHEMBL309746 0.89 KDM4E (1.00) KDM4EKMT2AL3MBTL1PSMD14OPRM1
SCHEMBL29944921 0.89 KDM4E (1.00) KDM4EKMT2AL3MBTL1PSMD14OPRM1
SCHEMBL26695338 0.85 KDM4E (0.78) KDM4EKMT2AL3MBTL1PSMD14OPRM1
SCHEMBL29944919 0.81 L3MBTL1 (0.57) KDM4EKMT2AL3MBTL1PSMD14OPRM1
SCHEMBL26695380 0.81 L3MBTL1 (0.57) KDM4EKMT2AL3MBTL1PSMD14OPRM1
SCHEMBL23579791 0.80 KDM4E (0.70) KDM4EKMT2AL3MBTL1PSMD14OPRM1
SCHEMBL30033251 0.80 KDM4E (0.70) KDM4EKMT2AL3MBTL1PSMD14OPRM1
SCHEMBL1695004 0.79 KDM4E (0.69) KDM4EKMT2AL3MBTL1PSMD14MAT2A
SCHEMBL1695347 0.78 PPARA (0.54) KDM4EKMT2AL3MBTL1ALDH1A1MAPT

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-20220306627-A1 COMPOSITIONS AND METHODS FOR INHIBITING VIRUS PROTEIN 2C ACTIVITY AND FOR PREVENTING AND TREATING NON-POLIO ENTEROVIRUS INFECTION ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2022-09-29 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-20220306627-A1 COMPOSITIONS AND METHODS FOR INHIBITING VIRUS PROTEIN 2C ACTIVITY AND FOR PREVENTING AND TREATING NON-POLIO ENTEROVIRUS INFECTION GTF3C3, VDAC3, GTF3C5 KDM4E 3370/4885KMT2A 3570/4885L3MBTL1 3422/4885

“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.