SCHEMBL4491547

SCHEMBL4491547

NC(=O)c1cncc(Br)c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CCNC P24863 2/20 0.37
CDK8 P49336 2/20 0.37
ERN1 O75460 1/20 0.35
CDC7 O00311 1/20 0.35
DGAT1 O75907 1/20 0.34
MKNK1 Q9BUB5 2/20 0.34
MKNK2 Q9HBH9 2/20 0.34
ADORA3 P0DMS8 1/20 0.33
TSHR P16473 1/20 0.33
MC4R P32245 1/20 0.33
ADRA1A P35348 1/20 0.33
MC3R P41968 1/20 0.33
MAP4K4 O95819 1/20 0.33
PARP1 P09874 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAP2K1 Q02750 1/20 0.32
POLB P06746 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32

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
SCHEMBL16828783 0.81 ERN1 (0.42) SIRT3TDP1CCNCCDK8ERN1
SCHEMBL659061 0.80 HCAR2 (0.42) TDP1TSHRKDM4EPOLBHCAR2
SCHEMBL4528998 0.79 SIRT3 (0.48) SIRT3TDP1CCNCCDK8ERN1
SCHEMBL17802090 0.74 ALDH1A1 (0.43) TSHRKDM4E
SCHEMBL31688820 0.72 SIRT3 (0.60) SIRT3TDP1CCNCCDK8ERN1
SCHEMBL5700120 0.72 TDP1 (0.55) SIRT3TDP1CCNCCDK8ERN1
SCHEMBL30694749 0.72 TDP1 (0.55) SIRT3TDP1CCNCCDK8ERN1
SCHEMBL1379680 0.72 SIRT3 (0.60) SIRT3TDP1CCNCCDK8ERN1
SCHEMBL30694754 0.72 TDP1 (0.55) SIRT3TDP1CCNCCDK8ERN1
SCHEMBL3170417 0.71 METAP2 (0.48) ERN1TSHRMAP4K4PARP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632865-B2 Thioamides and salts thereof and cytokine production inhibitors containing both ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-12-15 US disclosed
US-20070219215-A1 Thioamides and Salts Thereof and Cytokine Production Inhibitors Containing Both ISHIHARA SANGYO KAISHA, LTD (JP) 2007-09-20 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 (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-20070219215-A1 Thioamides and Salts Thereof and Cytokine Production Inhibitors Containing Both IFNG, TST, STAT6 SIRT3 890/4885TDP1 4515/4885CCNC 222/4885

“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.