SCHEMBL4066437

SCHEMBL4066437

CCCC(N)C(=O)n1nc(-c2ccccc2)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 6/20 0.42
MAPT P10636 6/20 0.41
POLB P06746 1/20 0.41
GAA P10253 5/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.39
PKM P14618 1/20 0.39
ADORA1 P30542 1/20 0.39
LDHA P00338 1/20 0.39
LMNA P02545 2/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL4063411 0.76 PSEN1 (0.46)
SCHEMBL9423275 0.74 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2MAPTGAANPC1
SCHEMBL24254552 0.72 F2 (0.53) ALDH1A1SMN1; SMN2MAPTGAANPC1
SCHEMBL2551230 0.72 KLK3 (0.52) ALDH1A1SMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL9127293 0.68 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2MAPTGAANPC1
Hydrochloric Acid SCHEMBL9122448 0.67 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2MAPTGAANPC1
Norvaline SCHEMBL4161620 0.67 GRIA2 (0.50) PKM
SCHEMBL13974492 0.67 SMN1; SMN2 (0.68) ALDH1A1SMN1; SMN2MAPTPOLBGAA
SCHEMBL27139096 0.66 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2MAPTPOLBGAA
SCHEMBL8313143 0.66 MAPT (0.55) SMN1; SMN2MAPTNPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521464-B2 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC. (US) 2009-04-21 US disclosed
US-20070270474-A1 drugs have beta-amyloid peptide production inhibitory activity, such as 2-(2-benzo[b]thiophen-4-yl-acetylamino)-N-(5-phenyl-2H-pyrazol-3-yl)-propionamide, useful for treatment of Alzheimer's disease and Down's Syndrome PFIZER INC. 2007-11-22 US disclosed
US-7238721-B2 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC (US) 2007-07-03 US disclosed
EP-1551809-A1 PYRAZOLE COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP disclosed
US-20040142997-A1 Pyrazole compounds for treatment of neurodegenerative disorders PFIZER INC. 2004-07-22 US disclosed
WO-2004033434-A1 PYRAZOLE COMPOUNDS FOR TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 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 (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-20040142997-A1 Pyrazole compounds for treatment of neurodegenerative disorders APP, PARK7, BACE1 ALDH1A1 1449/4885SMN1; SMN2 520/4885MAPT 22/4885
US-20070270474-A1 drugs have beta-amyloid peptide production inhibitory activity, such as 2-(2-benzo[b]thiophen-4-yl-acetylamino)-N-(5-phenyl-2H-pyrazol-3-yl)-propionamide, useful for treatment of Alzheimer's disease and Down's Syndrome APP, BACE1, PSEN1 ALDH1A1 2831/4885SMN1; SMN2 1395/4885MAPT 36/4885

“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.