SCHEMBL6444657

SCHEMBL6444657

CN(Cc1ccccn1)C(=O)C[C]=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 1/20 0.45
LIN28A Q9H9Z2 1/20 0.45
PYGL P06737 1/20 0.44
CA2 P00918 1/20 0.44
HIF1A Q16665 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
PTPRA P18433 1/20 0.43
KCNA5 P22460 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL12313339 0.83 NTRK1 (0.51) NTRK1SMN1; SMN2TDP1MAPTLIN28A
SCHEMBL6447880 0.81 NTRK1 (0.47) NTRK1SMN1; SMN2TDP1MAPTLIN28A
SCHEMBL14753660 0.81 NPC1 (0.49) NTRK1SMN1; SMN2TDP1MAPTLIN28A
SCHEMBL25724339 0.79 CA2 (0.45) NTRK1SMN1; SMN2TDP1MAPTLIN28A
SCHEMBL427048 0.79 SMN1; SMN2 (0.52) NTRK1SMN1; SMN2TDP1MAPTLIN28A
SCHEMBL6204342 0.79 KDM4E (0.52) SMN1; SMN2TDP1MAPTLIN28ACA2
SCHEMBL7976763 0.78 SMN1; SMN2 (0.50) NTRK1SMN1; SMN2TDP1MAPTLIN28A
SCHEMBL427047 0.78 SMN1; SMN2 (0.50) NTRK1SMN1; SMN2TDP1MAPTLIN28A
SCHEMBL7976764 0.78 SMN1; SMN2 (0.50) NTRK1SMN1; SMN2TDP1MAPTLIN28A
SCHEMBL26293946 0.75 TRPM8 (0.46) NTRK1SMN1; SMN2TDP1MAPTLIN28A

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 NTRK1 3514/4885SMN1; SMN2 1200/4885TDP1 758/4885

“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.