SCHEMBL4160720

SCHEMBL4160720

CC(=O)N(CCCN(C)C)c1nc2c(ccc3[nH]c(=O)c(C#N)cc32)s1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.46
MAPT P10636 9/20 0.45
NPSR1 Q6W5P4 3/20 0.41
IDE P14735 2/20 0.41
TP53 P04637 1/20 0.41
RAD52 P43351 3/20 0.41
LMNA P02545 4/20 0.40
KMT2A Q03164 3/20 0.40
MITF O75030 2/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
THRB P10828 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
SCHEMBL4156018 0.95 HTR2C (0.51) HTR2CMAPTNPSR1IDERAD52
SCHEMBL13851487 0.84 PIM1 (0.37) MAPTNPSR1IDETP53RAD52
SCHEMBL4161628 0.84 PIM1 (0.38) MAPTNPSR1IDETP53RAD52
SCHEMBL4157683 0.80 PIM1 (0.37) LMNAKMT2AHTTMEN1ALDH1A1
SCHEMBL4154240 0.80 PIM1 (0.36) HTR2CMAPTNPSR1LMNAKMT2A
SCHEMBL4164023 0.79 ALDH1A1 (0.39) RAD52KMT2AHTTMEN1ALDH1A1
SCHEMBL13851457 0.79 PIM1 (0.34) HTR2CKMT2AMEN1ALDH1A1KDM4E
SCHEMBL4158006 0.77 KDM4E (0.39) MAPTNPSR1TP53RAD52LMNA
SCHEMBL4157599 0.75 IDH1 (0.35) LMNAKMT2AMEN1ALDH1A1GAA
SCHEMBL10967371 0.75 PIM1 (0.38) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710088-B2 Pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2014-04-29 US disclosed
US-8710088-B2 Pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2014-04-29 US disclosed
US-8710088-B2 Pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases MAX-DELBRUCK-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2014-04-29 US disclosed
US-20090117040-A1 Novel pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases MAX-DELBRUG-CENTRUM FUR MOLEKULARE MEDIZIN (DE) 2009-05-07 US 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-20090117040-A1 Novel pharmaceutical and diagnostic compositions for use in the treatment and diagnosis of neurodegenerative diseases or amyloid diseases APP, PSEN2, PSEN1 HTR2C 2601/4885MAPT 10/4885NPSR1 1038/4885

“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.