SCHEMBL6444645

SCHEMBL6444645

CC(C)C(C(=O)NCc1ccccn1)C(=O)NCc1ccccn1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2D6 P10635 1/20 0.66
MAPT P10636 1/20 0.66
TSHR P16473 1/20 0.66
ALDH1A1 P00352 3/20 0.62
POLB P06746 2/20 0.58
CYP3A4 P08684 1/20 0.57
NPC1 O15118 3/20 0.56
RAB9A P51151 2/20 0.54
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
GAA P10253 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL6444813 0.93 SMN1; SMN2 (0.65) SMN1; SMN2CYP1A2CYP2D6MAPTTSHR
SCHEMBL6443047 0.93 SMN1; SMN2 (0.65) SMN1; SMN2CYP1A2CYP2D6MAPTTSHR
SCHEMBL1106991 0.87 SMN1; SMN2 (0.69) SMN1; SMN2CYP1A2CYP2D6MAPTTSHR
SCHEMBL7373429 0.85 SMN1; SMN2 (0.63) SMN1; SMN2CYP1A2CYP2D6MAPTTSHR
SCHEMBL12310929 0.85 SMN1; SMN2 (0.63) SMN1; SMN2CYP1A2CYP2D6MAPTTSHR
SCHEMBL14931534 0.84 SMN1; SMN2 (0.66) SMN1; SMN2CYP1A2CYP2D6MAPTTSHR
SCHEMBL13588549 0.84 SMN1; SMN2 (0.61) SMN1; SMN2CYP1A2CYP2D6MAPTTSHR
SCHEMBL6443302 0.82 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2CYP2D6MAPTTSHR
SCHEMBL6443300 0.82 SMN1; SMN2 (0.60) SMN1; SMN2CYP1A2CYP2D6MAPTTSHR
SCHEMBL6443304 0.82 ALDH1A1 (0.60) SMN1; SMN2CYP1A2CYP2D6MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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 (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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 SMN1; SMN2 1200/4885CYP1A2 1864/4885CYP2D6 3661/4885

“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.