SCHEMBL26704680

SCHEMBL26704680

CC(=O)N(C)c1cc(C(C)C)cc(CC(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.34
▸ NOS1 P29475 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ IKBKB O14920 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ESR1 P03372 1/20 0.31
▸ FABP3 P05413 1/20 0.30
▸ FABP4 P15090 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ APOBEC3A P31941 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ APOBEC3G Q9HC16 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
SCHEMBL26704797 0.77 HDAC1 (0.33) NOS3NOS1NOS2IKBKBESR1
SCHEMBL12120835 0.75 BRD4 (0.36) NOS3NOS1NOS2MEN1KMT2A
SCHEMBL12120830 0.72 FABP3 (0.41) NOS3NOS1NOS2IKBKBLMNA
SCHEMBL26704683 0.71 NOS3 (0.40) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL12120832 0.71 NOS2 (0.42) NOS3NOS1NOS2KDM4EHPGD
SCHEMBL16019491 0.69 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDLMNASMN1; SMN2
SCHEMBL12120834 0.69 MRGPRX4 (0.37) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL12120833 0.69 BRD4 (0.46) IKBKB
SCHEMBL12120831 0.67 NOS3 (0.39) NOS3NOS1NOS2ALDH1A1KDM4E
SCHEMBL1425448 0.67 ALDH1A1 (0.36) NOS3NOS1NOS2ALDH1A1KDM4E

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 NOS3 4820/4885NOS1 4856/4885NOS2 4840/4885

“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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