SCHEMBL3199829

SCHEMBL3199829

Cc1sc2c(c1C)C(c1ccc(NC(=O)c3ccc(F)cc3)cc1)=N[C@@H](CC(=O)O)c1nnc(C)n1-2

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.69
HDAC1 Q13547 4/20 0.68
BRD2 P25440 3/20 0.68
BRD3 Q15059 2/20 0.68
BRDT Q58F21 2/20 0.68
HDAC3 O15379 1/20 0.68
HDAC4 P56524 1/20 0.68
HDAC7 Q8WUI4 1/20 0.68
HDAC2 Q92769 1/20 0.68
HDAC10 Q969S8 1/20 0.68
HDAC11 Q96DB2 1/20 0.68
HDAC8 Q9BY41 1/20 0.68
HDAC6 Q9UBN7 1/20 0.68
HDAC9 Q9UKV0 1/20 0.68
HDAC5 Q9UQL6 1/20 0.68
ADORA3 P0DMS8 1/20 0.59
TSPO P30536 1/20 0.59
DNER Q8NFT8 1/20 0.58

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
SCHEMBL3202059 0.93 BRD4 (0.68) BRD4HDAC1BRD2BRD3BRDT
SCHEMBL3198871 0.91 BRD4 (0.74) BRD4BRD2BRD3BRDTADORA3
SCHEMBL3202090 0.91 BRD4 (0.67) BRD4HDAC1BRD2BRD3BRDT
SCHEMBL3198730 0.89 BRD4 (0.67) BRD4HDAC1BRD2BRD3BRDT
SCHEMBL3196778 0.88 BRD4 (0.66) BRD4HDAC1BRD2BRD3BRDT
SCHEMBL3197761 0.88 BRD4 (0.78) BRD4HDAC1BRD2BRD3BRDT
SCHEMBL3188289 0.87 BRD4 (0.77) BRD4HDAC1BRD2BRD3BRDT
SCHEMBL3196859 0.86 BRD4 (0.68) BRD4BRD2BRD3BRDTADORA3
SCHEMBL25091372 0.86 BRD4 (0.72) BRD4HDAC1BRD2BRD3BRDT
SCHEMBL3212705 0.86 BRD4 (0.74) BRD4HDAC1BRD2BRD3BRDT

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 265/4885HDAC1 1243/4885BRD2 318/4885

“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.