SCHEMBL22971676

SCHEMBL22971676

COc1ccc(-c2cccc(-c3csc(NC(=O)CNC(=O)c4ccc(N)cc4)n3)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.46
▸ ROCK1 Q13464 3/20 0.46
▸ PRKACA P17612 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.45
▸ HDAC1 Q13547 4/20 0.44
▸ HDAC3 O15379 3/20 0.44
▸ HDAC2 Q92769 3/20 0.44
▸ HDAC10 Q969S8 3/20 0.44
▸ HDAC8 Q9BY41 3/20 0.44
▸ HDAC6 Q9UBN7 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
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ HTT P42858 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43

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) CYP3A4ROCK1PRKACAADORA3HDAC1
SCHEMBL21241828 0.85 HDAC3 (0.48) ROCK1ADORA3HDAC1HDAC3HDAC2
SCHEMBL22971743 0.85 CYP3A4 (0.49) CYP3A4ROCK1PRKACAADORA3HDAC1
SCHEMBL22971735 0.84 HDAC1 (0.56) ROCK1PRKACAHDAC1HDAC3HDAC2
SCHEMBL22971678 0.84 HDAC3 (0.49) ROCK1PRKACAHDAC1HDAC3HDAC2
SCHEMBL22971658 0.84 WNT3A (0.56) CYP3A4ROCK1PRKACAHDAC1HDAC3
SCHEMBL21241986 0.83 PHGDH (0.51) ROCK1ADORA3HDAC1HDAC3HDAC2
SCHEMBL22971553 0.83 ROCK1 (0.54) CYP3A4ROCK1PRKACAHDAC1HDAC3
SCHEMBL21241936 0.83 HDAC3 (0.50) ROCK1HDAC1HDAC3HDAC2HDAC10
SCHEMBL22971635 0.83 ROCK1 (0.56) CYP3A4ROCK1PRKACAHDAC1HDAC3

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 3718/4885ROCK1 4248/4885PRKACA 755/4885
US-20210038611-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB CYP3A4 3718/4885ROCK1 4248/4885PRKACA 755/4885

“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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