SCHEMBL17993402

SCHEMBL17993402

COc1cccc(C(=O)N2CCC(N3CCN(C)CC3)CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
KDM4E B2RXH2 5/20 0.66
LMNA P02545 1/20 0.66
TSHR P16473 1/20 0.66
KMT2A Q03164 1/20 0.66
L3MBTL1 Q9Y468 5/20 0.61
L3MBTL3 Q96JM7 5/20 0.60
HSD11B1 P28845 2/20 0.60
MGLL Q99685 2/20 0.60
KDM2B Q8NHM5 1/20 0.58
TDP1 Q9NUW8 1/20 0.55
L3MBTL4 Q8NA19 1/20 0.54

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
SCHEMBL24042689 0.95 ALDH1A1 (0.69) ALDH1A1KDM4ELMNATSHRKMT2A
SCHEMBL24042626 0.93 ALDH1A1 (0.61) ALDH1A1KDM4ELMNATSHRKMT2A
SCHEMBL13504020 0.87 ALDH1A1 (0.74) ALDH1A1KMT2AL3MBTL1
SCHEMBL24042716 0.85 ALDH1A1 (0.49) ALDH1A1KDM4ELMNATSHRKMT2A
SCHEMBL3702296 0.80 ALDH1A1 (0.61) ALDH1A1KDM4ELMNATSHR
SCHEMBL23086075 0.80 MGLL (0.72) ALDH1A1KDM4EL3MBTL1HSD11B1MGLL
SCHEMBL19227480 0.80 HSD11B1 (0.64) ALDH1A1KDM4EL3MBTL1L3MBTL3HSD11B1
SCHEMBL3776961 0.79 ALDH1A1 (0.63) ALDH1A1KDM4ELMNATSHRKMT2A
SCHEMBL24123662 0.79 KDM4E (0.60) ALDH1A1KDM4EL3MBTL1L3MBTL3HSD11B1
SCHEMBL29517202 0.79 KDM4E (0.60) ALDH1A1KDM4EL3MBTL1L3MBTL3HSD11B1

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-20210361774-A1 DEGRADERS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-11-25 US disclosed
EP-2699572-B1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2016-08-10 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-20210361774-A1 DEGRADERS OF WILD-TYPE AND MUTANT FORMS OF LRRK2 LRRK2, CLK2, DDRGK1 ALDH1A1 3589/4885KDM4E 1865/4885LMNA 2830/4885

“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.