SCHEMBL6224976

SCHEMBL6224976

Fc1cc(N2CCOCC2)cc(F)c1C=C(Br)Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 1/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
PRKDC P78527 1/20 0.39
MAPT P10636 4/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6225482 0.79 PRKDC (0.47) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL22499083 0.76 MEN1 (0.44) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL22657917 0.73 KDM4E (0.41) KDM4EALDH1A1ALOX15HSD17B10HPGD
SCHEMBL22657916 0.73 KDM4E (0.41) KDM4EALDH1A1ALOX15HSD17B10HPGD
SCHEMBL28991680 0.73 KDM4E (0.46) KDM4EALDH1A1ALOX15HSD17B10HPGD
SCHEMBL16922688 0.73 KDM4E (0.55) KDM4EALDH1A1ALOX15HSD17B10HPGD
SCHEMBL2376896 0.73 LGMN (0.49) KDM4EALDH1A1ALOX15HSD17B10MEN1
SCHEMBL3508947 0.72 KDM4E (0.42) KDM4EALDH1A1ALOX15HSD17B10HPGD
SCHEMBL12526119 0.72 MEN1 (0.61) KDM4EALDH1A1ALOX15HSD17B10HPGD
SCHEMBL18394788 0.71 KMO (0.51) KDM4EALDH1A1ALOX15HPGDMEN1

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
EP-1572693-A1 MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS Pharmacia Corporation (US) 2005-09-14 EP disclosed
US-20040209897-A1 Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds PHARMACIA CORPORATION 2004-10-21 US disclosed
WO-2004058762-A1 MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITING COMPOUNDS PHARMACIA CORPORATION (US) 2004-07-15 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-20040209897-A1 Mitogen activated protein kinase-activated protein kinase-2 inhibiting compounds MAPKAPK2, MAP3K2, MKNK2 KDM4E 2767/4885ALDH1A1 4638/4885ALOX15 3087/4885

“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.