SCHEMBL21579953

SCHEMBL21579953

CC(C)(C)CNC(=O)NCCNC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.34
KDM4C Q9H3R0 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30
TP53BP1 Q12888 2/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL21449037 0.89 EPHX1 (0.41) EPHX1KDM4CNPC1RAB9AMAPT
SCHEMBL2824552 0.82 BCHE (0.36) EPHX1KDM4CSMN1; SMN2DRD2DRD3
SCHEMBL24535362 0.79 CACNA1H (0.35) TP53BP1
SCHEMBL21706216 0.78 SIGMAR1 (0.41) EPHX1KDM4CDRD2DRD3
SCHEMBL26309035 0.78 KEAP1 (0.39) EPHX1KDM4CNPC1RAB9AMAPT
SCHEMBL8070563 0.78 MEN1 (0.38) EPHX1KDM4CMAPTDRD2DRD3
SCHEMBL11148743 0.77 FAAH (0.37) EPHX1KDM4CNPC1RAB9AMAPT
SCHEMBL5540331 0.75 PRMT1 (0.47) KDM4C
SCHEMBL8069886 0.73 DNM1 (0.41) EPHX1SMN1; SMN2MEN1KMT2A
SCHEMBL22667281 0.73 KDM4C (0.48) EPHX1KDM4CNPC1RAB9AMAPT

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-20190351066-A1 PRODRUGS OF CYTOTOXIC ACTIVE AGENTS HAVING ENZYMATICALLY CLEAVABLE GROUPS BAYER AKTIENGESELLSCHAFT (DE) 2019-11-21 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-20190351066-A1 PRODRUGS OF CYTOTOXIC ACTIVE AGENTS HAVING ENZYMATICALLY CLEAVABLE GROUPS LGMN, BUB1B, KIF15 EPHX1 3595/4885KDM4C 4363/4885NPC1 510/4885

“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.