SCHEMBL22971659

SCHEMBL22971659

NCCOc1cc(-c2cccc(-c3csc(NC(=O)CNC(=O)c4ccc(N)cc4)n3)c2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 6/20 0.46
▸ HDAC3 O15379 6/20 0.44
▸ HDAC1 Q13547 6/20 0.44
▸ HDAC2 Q92769 6/20 0.44
▸ HDAC10 Q969S8 6/20 0.44
▸ HDAC6 Q9UBN7 4/20 0.44
▸ HDAC8 Q9BY41 3/20 0.44
▸ HDAC4 P56524 2/20 0.44
▸ HDAC7 Q8WUI4 2/20 0.44
▸ HDAC11 Q96DB2 2/20 0.44
▸ HDAC9 Q9UKV0 2/20 0.44
▸ HDAC5 Q9UQL6 2/20 0.44
▸ ROCK1 Q13464 8/20 0.44
▸ PRKACA P17612 1/20 0.44
▸ NCOR2 Q9Y618 1/20 0.43
▸ ELOVL1 Q9BW60 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ WNT3A P56704 1/20 0.40
▸ ROCK2 O75116 2/20 0.40

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
SCHEMBL22971508 0.90 CYP3A4 (0.58) CYP3A4HDAC3HDAC1HDAC2HDAC10
SCHEMBL22971553 0.87 ROCK1 (0.54) CYP3A4HDAC3HDAC1HDAC2HDAC10
SCHEMBL21242059 0.86 HDAC3 (0.46) CYP3A4HDAC3HDAC1HDAC2HDAC10
SCHEMBL22971658 0.85 WNT3A (0.56) CYP3A4HDAC3HDAC1HDAC2HDAC10
SCHEMBL22971662 0.85 HDAC3 (0.44) CYP3A4HDAC3HDAC1HDAC2HDAC10
SCHEMBL22971635 0.85 ROCK1 (0.56) CYP3A4HDAC3HDAC1HDAC2HDAC10
SCHEMBL22971743 0.85 CYP3A4 (0.49) CYP3A4HDAC3HDAC1HDAC2HDAC10
SCHEMBL22971651 0.84 HDAC3 (0.46) CYP3A4HDAC3HDAC1HDAC2HDAC10
SCHEMBL23705515 0.84 SMARCA2 (0.55) CYP3A4ROCK1PRKACAELOVL1WNT3A
SCHEMBL21241825 0.83 ROCK1 (0.49) CYP3A4HDAC3HDAC1HDAC2HDAC10

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-20230138480-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-04 — — US disclosed
US-20230138480-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-04 — — US disclosed
US-20210038611-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2021-02-11 — — 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 (2 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-20230138480-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB CYP3A4 3718/4885HDAC3 231/4885HDAC1 242/4885
US-20210038611-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB CYP3A4 3718/4885HDAC3 231/4885HDAC1 242/4885

“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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