SCHEMBL4663333

SCHEMBL4663333

NC(=O)c1cc(-c2ccccc2)nc2cc[nH]c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 8/20 0.59
CHUK O15111 7/20 0.59
RXFP1 Q9HBX9 2/20 0.56
KDM4E B2RXH2 2/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PDE10A Q9Y233 1/20 0.50
DHODH Q02127 1/20 0.48
CASP1 P29466 1/20 0.48
PDPK1 O15530 1/20 0.45
HSD17B10 Q99714 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44

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
SCHEMBL29586433 0.77 LMNA (0.76) RXFP1KDM4ELMNASMN1; SMN2PDE10A
SCHEMBL379807 0.77 LMNA (0.76) RXFP1KDM4ELMNASMN1; SMN2PDE10A
SCHEMBL4664955 0.75 IKBKB (0.57) IKBKBCHUKRXFP1KDM4EPDPK1
SCHEMBL3802579 0.75 IKBKB (1.00) IKBKBCHUKPDPK1
SCHEMBL4663088 0.74 MAPK1 (0.49) KDM4ELMNASMN1; SMN2PDE10AALDH1A1
SCHEMBL4689422 0.74 IKBKB (0.97) IKBKBCHUKDHODHPDPK1
SCHEMBL30567553 0.73 SCN9A (0.40) IKBKBCHUKKDM4EPDPK1HSD17B10
SCHEMBL300814 0.72 IKBKB (0.47) IKBKBCHUKPDPK1
SCHEMBL27865637 0.71 KDM4E (0.79) RXFP1KDM4ELMNASMN1; SMN2PDE10A
SCHEMBL4689165 0.71 IKBKB (0.91) IKBKBCHUKDHODHPDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242685-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-10-02 US claimed
US-20080242685-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-10-02 US disclosed
US-20080242685-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-10-02 US disclosed
US-20080242685-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-10-02 US disclosed
EP-1940296-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-07-09 EP disclosed
WO-2007114848-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-10-11 WO disclosed
WO-2007114848-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-10-11 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-20080242685-A1 Chemical Compounds NFKBIA, IKBKG, NFKB2 IKBKB 16/4885CHUK 42/4885RXFP1 2251/4885

“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.