SCHEMBL5545956

SCHEMBL5545956

O=c1[nH]c(=O)c2cc(I)c(Cl)cc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GRIN2D O15399 7/20 0.42
GRIN3B O60391 7/20 0.42
GRIN1 Q05586 7/20 0.42
GRIN2A Q12879 7/20 0.42
GRIN2B Q13224 7/20 0.42
GRIN2C Q14957 7/20 0.42
GRIN3A Q8TCU5 7/20 0.42
GRIA1 P42261 3/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
THPO P40225 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42

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
SCHEMBL3669922 0.84 GRIN2D (0.54) KDM4EALDH1A1HPGDSMN1; SMN2GRIN2D
SCHEMBL29909816 0.78 ALDH1A1 (0.47) KDM4EALDH1A1HPGDSMN1; SMN2GRIN2D
SCHEMBL5368341 0.78 CA12 (0.53) KDM4EALDH1A1HPGDSMN1; SMN2GRIN2D
SCHEMBL3668179 0.78 KDM4E (0.47) KDM4EALDH1A1HPGDSMN1; SMN2GRIN2D
SCHEMBL27474539 0.78 GRIN2D (0.58) KDM4EALDH1A1HPGDSMN1; SMN2GRIN2D
SCHEMBL8137325 0.78 ALDH1A1 (0.47) KDM4EALDH1A1HPGDSMN1; SMN2GRIN2D
SCHEMBL13814616 0.74 KDM4E (0.47) KDM4EALDH1A1HPGDSMN1; SMN2GRIN2D
SCHEMBL30826989 0.74 KDM4E (0.47) KDM4EALDH1A1HPGDSMN1; SMN2GRIN2D
SCHEMBL7021184 0.74 KDM4E (0.47) KDM4EALDH1A1HPGDSMN1; SMN2GRIN2D
SCHEMBL1291837 0.74 GRIN2D (0.70) KDM4EALDH1A1HPGDSMN1; SMN2GRIN2D

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
US-7176314-B2 IkB kinases (IKK) enzyme inhibitors, a imidazole-5-yl-quinoline derivatives compounds AMGEN, INC. (US) 2007-02-13 US disclosed
US-20030181472-A1 Inflammation modulators TULARIK INC. 2003-09-25 US disclosed
WO-2003048152-A2 INFLAMMATION MODULATORS TULARIK INC. (US) 2003-06-12 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-20030181472-A1 Inflammation modulators NFATC1, NFKBIA, RELA KDM4E 3338/4885ALDH1A1 2585/4885HPGD 406/4885

“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.