SCHEMBL5669408

SCHEMBL5669408

O=C(c1cccc([N+](=O)[O-])c1Cl)n1cccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.42
GPR35 Q9HC97 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
CTSD P07339 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
THRB P10828 1/20 0.40
DHODH Q02127 1/20 0.40
LMNA P02545 1/20 0.39
MET P08581 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL7086897 0.94 TSHR (0.50) TSHRALDH1A1GPR35MEN1KMT2A
SCHEMBL1767333 0.78 TSHR (0.50) TSHRALDH1A1GPR35MEN1KMT2A
SCHEMBL309038 0.78 TSHR (0.64) TSHRALDH1A1GPR35MEN1KMT2A
SCHEMBL29488320 0.77 TSHR (0.53) TSHRALDH1A1GPR35MEN1KMT2A
SCHEMBL27827942 0.77 TSHR (0.62) TSHRALDH1A1GPR35MEN1KMT2A
SCHEMBL308476 0.77 TSHR (0.49) TSHRALDH1A1GPR35MEN1KMT2A
SCHEMBL3910666 0.77 TSHR (0.53) TSHRALDH1A1GPR35MEN1KMT2A
SCHEMBL10626380 0.76 THRB (0.51) TSHRALDH1A1GPR35MEN1KMT2A
SCHEMBL10902711 0.76 ALDH1A1 (0.54) TSHRALDH1A1GPR35MEN1KMT2A
SCHEMBL16957745 0.75 TSHR (0.50) TSHRALDH1A1GPR35MEN1KMT2A

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-7148224-B2 An enzyme inhibitors of cyclin-dependent kinases, antitumor agents; chemical intermediate synthesis BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-12-12 US disclosed
US-20050176719-A1 Novel pyrazinone derivatives MSD K.K. (JP) 2005-08-11 US disclosed
US-6914062-B2 Pyrazinone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-07-05 US disclosed
EP-1295878-B1 PYRAZINONE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-09-15 EP disclosed
EP-1295878-A1 NOVEL PYRAZINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-03-26 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-20050176719-A1 Novel pyrazinone derivatives CDK6, CDK4, CDK16 TSHR 2308/4885ALDH1A1 1658/4885GPR35 2608/4885

“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.