SCHEMBL26704797

SCHEMBL26704797

CNC(=O)CN(C)c1cc(C(C)C)cc(CC(C)C)n1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ IKBKB O14920 1/20 0.32
▸ MAT2A P31153 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ NOS3 P29474 1/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ NOS2 P35228 1/20 0.31
▸ TRPV1 Q8NER1 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
SCHEMBL26704680 0.77 NOS3 (0.34) IKBKBESR1NOS3NOS1NOS2
SCHEMBL19501382 0.75 BCHE (0.43) HDAC1HDAC6BCHEACHEMAT2A
SCHEMBL12120833 0.72 BRD4 (0.46) IKBKB
SCHEMBL12120835 0.70 BRD4 (0.36) IKBKBESR1NOS3NOS1NOS2
SCHEMBL12120830 0.67 FABP3 (0.41) IKBKBESR1NOS3NOS1NOS2
SCHEMBL12120834 0.67 MRGPRX4 (0.37) IKBKBESR1NOS3NOS1NOS2
SCHEMBL26704683 0.67 NOS3 (0.40) ESR1NOS3NOS1NOS2
SCHEMBL12120832 0.66 NOS2 (0.42) IKBKBESR1NOS3NOS1NOS2
SCHEMBL12120831 0.62 NOS3 (0.39) ESR1NOS3NOS1NOS2
SCHEMBL1425448 0.62 ALDH1A1 (0.36) IKBKBESR1NOS3NOS1NOS2

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-20230348452-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-11-02 — — 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-20230348452-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, BRCA1 HDAC1 378/4885HDAC6 121/4885BCHE 2915/4885

“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.

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