SCHEMBL5212019

SCHEMBL5212019

NC(=O)Nc1cc(-c2csc3ccccc23)sc1C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 13/20 0.59
HDAC2 Q92769 2/20 0.45
PKM P14618 1/20 0.43
LIMK1 P53667 2/20 0.41
JUN P05412 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL5213056 0.84 IKBKB (0.60) IKBKBJUNMAPK8MAPK9HDAC6
SCHEMBL5213069 0.81 HDAC2 (0.42) IKBKBHDAC2PKMJUNMAPK8
SCHEMBL4092080 0.77 IKBKB (0.67) IKBKB
SCHEMBL1385637 0.76 IKBKB (0.65) IKBKBMAPT
SCHEMBL5211200 0.76 IKBKB (0.65) IKBKBHDAC2CDC7
SCHEMBL1382301 0.75 IKBKB (1.00) IKBKBMAPT
SCHEMBL1385872 0.74 IKBKB (0.67) IKBKBHDAC2HDAC3HDAC1NPC1
SCHEMBL6586102 0.74 PKM (0.72) HDAC2PKMJUNMAPK8MAPK9
SCHEMBL1826459 0.73 CDC7 (0.51) IKBKBHDAC2PKMJUNMAPK8
SCHEMBL1383955 0.73 IKBKB (0.82) IKBKBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1421079-B1 THIOPHENYL COMPOUNDS AS MEDICAMENTS ASTRAZENECA AB (SE) 2007-02-07 EP claimed
US-7098240-B2 Compounds ASTRAZENECA AB (SE) 2006-08-29 US claimed
US-20040235821-A1 Novel compounds ASTRAZENECA AB (SE) 2004-11-25 US claimed
CN-1538968-A Novel compounds 2004-10-20 CN claimed
EP-1421079-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP claimed
WO-2003010163-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 WO claimed
EP-1421079-B1 THIOPHENYL COMPOUNDS AS MEDICAMENTS ASTRAZENECA AB (SE) 2007-02-07 EP disclosed
US-7098240-B2 Compounds ASTRAZENECA AB (SE) 2006-08-29 US disclosed
US-20040235821-A1 Novel compounds ASTRAZENECA AB (SE) 2004-11-25 US disclosed
CN-1538968-A Novel compounds 2004-10-20 CN disclosed
EP-1421079-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP disclosed
WO-2003010163-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 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-20040235821-A1 Novel compounds ABCG2, UGT1A1, SULT1E1 IKBKB 2823/4885HDAC2 273/4885PKM 2370/4885

“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.