SCHEMBL6443003

SCHEMBL6443003

CC(C)(C)OC(=O)NN=Cc1ccc(F)cc1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.76
RAB9A P51151 8/20 0.74
NPC1 O15118 7/20 0.74
SMN1; SMN2 Q16637 7/20 0.74
RECQL P46063 1/20 0.74
MAPT P10636 6/20 0.72
KDM4E B2RXH2 3/20 0.65
CYP1A2 P05177 3/20 0.65
LMNA P02545 2/20 0.58
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 1/20 0.57
SCN4A P35499 1/20 0.54
SCN9A Q15858 1/20 0.54
POLB P06746 2/20 0.51
MEN1 O00255 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL13401232 0.86 MIF (0.78) MIFRAB9ANPC1SMN1; SMN2RECQL
SCHEMBL6444643 0.86 MIF (1.00) MIFRAB9ANPC1SMN1; SMN2RECQL
SCHEMBL6444640 0.86 MIF (1.00) MIFRAB9ANPC1SMN1; SMN2RECQL
SCHEMBL5018868 0.85 MIF (0.72) MIFRAB9ANPC1SMN1; SMN2RECQL
SCHEMBL13365595 0.85 MIF (0.72) MIFRAB9ANPC1SMN1; SMN2RECQL
SCHEMBL23081589 0.85 MIF (0.62) MIFRAB9ANPC1SMN1; SMN2RECQL
SCHEMBL17290220 0.85 MIF (0.76) MIFRAB9ANPC1SMN1; SMN2RECQL
SCHEMBL13903557 0.85 MIF (0.76) MIFRAB9ANPC1SMN1; SMN2RECQL
SCHEMBL5373502 0.85 MIF (0.76) MIFRAB9ANPC1SMN1; SMN2RECQL
SCHEMBL5373505 0.85 MIF (0.76) MIFRAB9ANPC1SMN1; SMN2RECQL

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
US-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
US-5670497-A RETROVIRAL PROTEASE INHIBITORS CIBA-GEIGY CORPORATION (US) 1997-09-23 US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP disclosed
EP-0708760-A1 CYCLIC HYDRAZINE COMPOUNDS Novartis AG (CH) 1996-05-01 EP disclosed
WO-1995002582-A1 CYCLIC HYDRAZINE COMPOUNDS CIBA-GEIGY AG (CH) 1995-01-26 WO disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 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 (2 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 MIF 3796/4885RAB9A 362/4885NPC1 429/4885
US-20100094000-A1 PYRAZOLE COMPOUNDS NR3C2, MC2R, NR3C1 MIF 894/4885RAB9A 3946/4885NPC1 3279/4885

“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.