SCHEMBL6446649

SCHEMBL6446649

C[CH]c1ccc(N)cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 4/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
CASP6 P55212 1/20 0.39
ALDH1A1 P00352 3/20 0.39
PTPN11 Q06124 1/20 0.38
DYRK1A Q13627 1/20 0.38
KEAP1 Q14145 1/20 0.37
PLAU P00749 1/20 0.37
HTT P42858 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
F2 P00734 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL13495488 0.81 CASP1 (0.44) CASP1SMN1; SMN2KDM4ELMNAPOLB
SCHEMBL22019510 0.81 CASP1 (0.44) CASP1SMN1; SMN2KDM4ELMNAPOLB
SCHEMBL28175181 0.76 MAPT (0.39) CASP1SMN1; SMN2KDM4ELMNAPOLB
SCHEMBL2021703 0.76 BACE1 (0.41) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL5179742 0.76 CASP1 (0.44) CASP1SMN1; SMN2KDM4ELMNAPOLB
SCHEMBL3680895 0.75 CASP1 (0.42) CASP1SMN1; SMN2KDM4ELMNAPOLB
SCHEMBL13265882 0.75 CASP1 (0.42) CASP1SMN1; SMN2KDM4ELMNAPOLB
SCHEMBL2334691 0.75 CASP1 (0.42) CASP1SMN1; SMN2KDM4ELMNAPOLB
SCHEMBL14125562 0.75 CASP1 (0.42) CASP1SMN1; SMN2KDM4ELMNAPOLB
SCHEMBL5953115 0.73 ALDH1A1 (0.54) CASP1SMN1; SMN2KDM4ELMNAPOLB

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-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
EP-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 EP 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-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 CASP1 936/4885SMN1; SMN2 1200/4885KDM4E 3396/4885

“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.