SCHEMBL21392852

SCHEMBL21392852

Cn1ccnc1C(NC(=O)CCl)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.44
NCOA1 Q15788 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
TSHR P16473 1/20 0.43
KMT2A Q03164 3/20 0.42
MAPT P10636 1/20 0.42
CYP2D6 P10635 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADAM17 P78536 1/20 0.40
LDHA P00338 1/20 0.39
LDHB P07195 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.38
SLC6A9 P48067 1/20 0.38

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
SCHEMBL4665022 0.77 ALDH1A1 (0.62) KDM4EALDH1A1LMNAHTTNCOA1
SCHEMBL30780975 0.75 KDM4E (0.47) KDM4ELMNAHTTKMT2AMAPT
SCHEMBL12847001 0.75 SLC6A9 (0.44) KDM4EKMT2ASLC6A9
SCHEMBL5456486 0.74 S1PR2 (0.57) KDM4EALDH1A1LMNAHTTNCOA1
SCHEMBL12790220 0.70 KDM4E (0.44) KDM4EKMT2AL3MBTL1SLC6A9
SCHEMBL1503496 0.68 KDM4E (0.63) KDM4ETSHRKMT2AMAPTCYP2D6
SCHEMBL3401057 0.68 KDM4E (0.67) KDM4EALDH1A1LMNATSHRKMT2A
SCHEMBL2938096 0.68 ALDH1A1 (0.66) ALDH1A1LMNAHTTNCOA1SMN1; SMN2
SCHEMBL2938094 0.68 ALDH1A1 (0.66) ALDH1A1LMNAHTTNCOA1SMN1; SMN2
SCHEMBL3838394 0.68 ALDH1A1 (0.66) ALDH1A1LMNAHTTNCOA1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11666661-B2 Methods and compounds for targeted autophagy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-06 US disclosed
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-02 US disclosed
US-20190290778-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY FRONTIER MEDICINES CORPORATION 2019-09-26 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 (3 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-20190290778-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY ATG7, BECN1, SQSTM1 KDM4E 3016/4885ALDH1A1 4188/4885LMNA 1016/4885
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES RNF114, RNF4, RNF168 KDM4E 210/4885ALDH1A1 2969/4885LMNA 3321/4885
US-11666661-B2 Methods and compounds for targeted autophagy ATG7, BECN1, SQSTM1 KDM4E 3016/4885ALDH1A1 4188/4885LMNA 1016/4885

“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.