SCHEMBL3612948

SCHEMBL3612948

C=C(C(N)=O)c1csc(-c2ccccc2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
TDP1 Q9NUW8 2/20 0.56
HPGD P15428 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HPGDS O60760 2/20 0.52
TLR7 Q9NYK1 1/20 0.52
MAPT P10636 3/20 0.51
ATM Q13315 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
NPY1R P25929 1/20 0.51
NPY2R P49146 1/20 0.51
CTSK P43235 1/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 3/20 0.48

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
SCHEMBL168519 0.83 HTR2B (0.66) HDAC1HDAC8HDAC6TDP1HPGD
SCHEMBL27768678 0.80 HDAC1 (0.70) HDAC1HDAC8HDAC6TDP1HPGD
SCHEMBL352152 0.80 HPGDS (0.73) HDAC1HDAC8HDAC6TDP1HPGD
Hydrochloric Acid SCHEMBL6821751 0.78 HPGDS (0.71) HDAC1HDAC8HDAC6TDP1HPGD
SCHEMBL168291 0.77 TDP1 (0.67) HDAC1HDAC8HDAC6TDP1HPGD
SCHEMBL26319518 0.77 ALDH1A1 (0.73) HDAC1HDAC8HDAC6TDP1HPGDS
SCHEMBL1574742 0.77 HDAC1 (0.66) HDAC1HDAC8HDAC6TDP1HPGD
SCHEMBL13515212 0.77 HDAC1 (0.57) HDAC1HDAC8HDAC6TDP1HPGD
SCHEMBL11511135 0.76 HDAC1 (0.74) HDAC1HDAC8HDAC6TDP1HPGD
SCHEMBL27696571 0.76 HDAC1 (0.60) HDAC1HDAC8HDAC6TDP1HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304438-B2 Heteroarylacrylamides and their use as pharmaceuticals SANOFI (FR) 2012-11-06 US disclosed
US-20100016272-A1 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
EP-2099753-A2 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2009-09-16 EP disclosed
EP-1939180-A1 Heteroarylacrylamides and their use as pharmaceuticals for the stimulation of the expression of endothelial NO synthase sanofi-aventis (FR) 2008-07-02 EP disclosed
WO-2008074413-A2 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS FOR THE STIMULATION OF THE EXPRESSION OF ENDOTHELIAL NO SYNTHASE SANOFI-AVENTIS (FR) 2008-06-26 WO 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-20100016272-A1 HETEROARYLACRYLAMIDES AND THEIR USE AS PHARMACEUTICALS NOS3, PTGIS, NOS1 HDAC1 2016/4885HDAC8 3708/4885HDAC6 4184/4885

“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.