SCHEMBL3202090

SCHEMBL3202090

COc1ccc(C(=O)Nc2ccc(C3=N[C@@H](CC(=O)O)c4nnc(C)n4-c4sc(C)c(C)c43)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.67
BRD2 P25440 4/20 0.66
HDAC1 Q13547 3/20 0.66
BRD3 Q15059 2/20 0.66
BRDT Q58F21 2/20 0.66
HDAC3 O15379 1/20 0.66
HDAC4 P56524 1/20 0.66
HDAC7 Q8WUI4 1/20 0.66
HDAC2 Q92769 1/20 0.66
HDAC10 Q969S8 1/20 0.66
HDAC11 Q96DB2 1/20 0.66
HDAC8 Q9BY41 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66
HDAC9 Q9UKV0 1/20 0.66
HDAC5 Q9UQL6 1/20 0.66
ADORA3 P0DMS8 1/20 0.62
TSPO P30536 1/20 0.62
DNER Q8NFT8 1/20 0.57

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
SCHEMBL3198537 0.91 BRD4 (0.77) BRD4BRD2BRD3ADORA3TSPO
SCHEMBL3199829 0.91 BRD4 (0.69) BRD4BRD2HDAC1BRD3BRDT
SCHEMBL3201579 0.90 BRD4 (0.78) BRD4BRD2HDAC1BRD3BRDT
SCHEMBL3202059 0.90 BRD4 (0.68) BRD4BRD2HDAC1BRD3BRDT
SCHEMBL3199849 0.89 BRD4 (0.69) BRD4BRD2HDAC1BRD3BRDT
SCHEMBL3212487 0.88 BRD4 (0.81) BRD4BRD2HDAC1BRD3BRDT
SCHEMBL2538550 0.88 BRD4 (0.80) BRD4BRD2HDAC1BRD3BRDT
SCHEMBL3204684 0.87 BRD4 (0.68) BRD4BRD2HDAC1BRD3BRDT
SCHEMBL3211313 0.86 BRD4 (0.72) BRD4BRD2HDAC1BRD3BRDT
SCHEMBL3211331 0.86 BRD4 (0.72) BRD4BRD2HDAC1BRD3BRDT

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
EP-1887008-B1 THIENOTRIAZOLODIAZEPINE COMPOUND AND A MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2021-04-21 EP disclosed
US-20100041643-A1 THIENOTRIAZOLODIAZEPINE COMPOUND AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-02-18 US disclosed
EP-1887008-A1 THIENOTRIAZOLODIAZEPINE COMPOUND AND A MEDICINAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-02-13 EP 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-20100041643-A1 THIENOTRIAZOLODIAZEPINE COMPOUND AND MEDICINAL USE THEREOF ICOS, CD4, CD2 BRD4 265/4885BRD2 318/4885HDAC1 1243/4885

“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.