SCHEMBL3533968

SCHEMBL3533968

CC1=NN(c2ccccc2F)C(=O)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.60
MAPT P10636 10/20 0.60
MEN1 O00255 8/20 0.60
ALDH1A1 P00352 8/20 0.60
GAA P10253 5/20 0.60
TDP1 Q9NUW8 5/20 0.60
KDM4E B2RXH2 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
CYP1A2 P05177 1/20 0.60
CHRM2 P08172 1/20 0.60
CYP3A4 P08684 1/20 0.60
CHRM1 P11229 1/20 0.60
TSHR P16473 1/20 0.60
PTGS1 P23219 1/20 0.60
DRD3 P35462 1/20 0.60
APP P05067 5/20 0.54
PDCD1 Q15116 1/20 0.54
CD274 Q9NZQ7 1/20 0.54
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL4664740 0.83 MAPT (0.64) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL6951600 0.80 MAPT (0.60) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL4661622 0.80 MAPT (0.60) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL3407787 0.80 MAPT (0.60) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL29851934 0.80 MAPT (0.60) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL10597685 0.80 MAPT (0.60) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL14759038 0.80 MAPT (0.60) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL1133533 0.80 MAPT (0.55) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL30590658 0.78 MAPT (0.57) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL4661873 0.78 MAPT (0.57) KMT2AMAPTMEN1ALDH1A1GAA

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-8507494-B2 Heterocyclic quinolizine derived M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2013-08-13 US disclosed
US-20130040959-A1 Heterocyclic Quinolizine Derived M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME LLC 2013-02-14 US disclosed
US-7652057-B2 Pyrazolones as 11b-HSD1 inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
EP-1924562-A2 PYRAZOLONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025880-A2 PYRAZOLONE DERIVATIVES AS 11-BETA HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 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 (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-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes HSD11B1, HSD17B1, HSD17B7 KMT2A 4086/4885MAPT 3706/4885MEN1 1683/4885
US-20130040959-A1 Heterocyclic Quinolizine Derived M1 Receptor Positive Allosteric Modulators CHRM1, OPRL1, CHRNA5 KMT2A 1205/4885MAPT 494/4885MEN1 2847/4885

“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.