SCHEMBL22971672

SCHEMBL22971672

CSCC[C@H](NC(=O)c1ccc(N)cc1)C(=O)Nc1nc(-c2cccc(-c3ccc(CN)cc3)c2)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRE11 P49959 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMARCA2 P51531 1/20 0.42
SMARCA4 P51532 1/20 0.42
ALK Q9UM73 4/20 0.40
HDAC3 O15379 5/20 0.40
HDAC1 Q13547 5/20 0.40
HDAC2 Q92769 5/20 0.40
HDAC8 Q9BY41 5/20 0.40
HDAC10 Q969S8 4/20 0.40
HDAC6 Q9UBN7 4/20 0.40
HDAC4 P56524 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40
CTSB P07858 1/20 0.40
WNT3A P56704 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL21241943 0.95 MEN1 (0.42) MRE11MEN1KMT2ASMARCA2SMARCA4
SCHEMBL21224192 0.92 PARP1 (0.46) MRE11MEN1KMT2ASMARCA2SMARCA4
SCHEMBL21224191 0.92 PARP1 (0.46) MRE11MEN1KMT2ASMARCA2SMARCA4
SCHEMBL22971637 0.92 PARP1 (0.46) MRE11MEN1KMT2ASMARCA2SMARCA4
SCHEMBL21241796 0.89 SCD (0.50) MRE11MEN1KMT2AHDAC3HDAC1
SCHEMBL21224249 0.89 SCD (0.50) MRE11MEN1KMT2AHDAC3HDAC1
SCHEMBL22971670 0.88 WNT3A (0.47) MEN1KMT2ASMARCA2SMARCA4HDAC3
SCHEMBL21224711 0.87 SCD (0.52) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL21224713 0.87 SCD (0.52) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL22971551 0.85 ROCK2 (0.45) MEN1KMT2AHDAC3HDAC1HDAC2

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 4 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-20230072658-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-03-09 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 (3 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 MRE11 2180/4885MEN1 1366/4885KMT2A 792/4885
US-20210038611-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB MRE11 2180/4885MEN1 1366/4885KMT2A 792/4885
US-20230072658-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCB1, SMARCE1 MRE11 179/4885MEN1 1348/4885KMT2A 380/4885

“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.